sbuild (Debian sbuild) 0.85.11~bpo12+1 (31 August 2024) on debusine-worker-amd64-hades-05.freexian.com
+==============================================================================+
| chemps2 1.8.12-3.1 (amd64) Thu, 26 Sep 2024 07:21:21 +0000 |
+==============================================================================+
Package: chemps2
Version: 1.8.12-3.1
Source Version: 1.8.12-3.1
Distribution: sid
Machine Architecture: amd64
Host Architecture: amd64
Build Architecture: amd64
Build Type: binary
I: No tarballs found in /var/lib/debusine/worker/.cache/sbuild
Unpacking /var/lib/debusine/worker/system-images/807024/system.tar.xz to /tmp/tmp.sbuild.AmaYZ9fFcL...
I: NOTICE: Log filtering will replace 'sbuild-unshare-dummy-location' with '<<CHROOT>>'
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| Chroot Setup Commands |
+------------------------------------------------------------------------------+
rm -f /etc/resolv.conf
----------------------
I: Finished running 'rm -f /etc/resolv.conf'.
Finished processing commands.
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Copying /tmp/debusine-fetch-exec-upload-ka3ei1lb/python3-numpy-dbgsym_2.1.1+ds-3_amd64.deb to /<<CHROOT>>...
Copying /tmp/debusine-fetch-exec-upload-ka3ei1lb/python3-numpy-dev_2.1.1+ds-3_amd64.deb to /<<CHROOT>>...
Copying /tmp/debusine-fetch-exec-upload-ka3ei1lb/python3-numpy_2.1.1+ds-3_amd64.deb to /<<CHROOT>>...
Copying /tmp/debusine-fetch-exec-upload-ka3ei1lb/python-numpy-doc_2.1.1+ds-3_all.deb to /<<CHROOT>>...
I: NOTICE: Log filtering will replace 'build/chemps2-hFUBMg/resolver-gNeuUP' with '<<RESOLVERDIR>>'
+------------------------------------------------------------------------------+
| Update chroot |
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Get:1 file:/build/chemps2-hFUBMg/resolver-LUQeTQ/apt_archive ./ InRelease
Ign:1 file:/build/chemps2-hFUBMg/resolver-LUQeTQ/apt_archive ./ InRelease
Get:2 file:/build/chemps2-hFUBMg/resolver-LUQeTQ/apt_archive ./ Release [606 B]
Get:3 http://deb.debian.org/debian sid InRelease [202 kB]
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Get:4 file:/build/chemps2-hFUBMg/resolver-LUQeTQ/apt_archive ./ Release.gpg
Ign:4 file:/build/chemps2-hFUBMg/resolver-LUQeTQ/apt_archive ./ Release.gpg
Get:5 file:/build/chemps2-hFUBMg/resolver-LUQeTQ/apt_archive ./ Packages [4543 B]
Get:6 http://deb.debian.org/debian sid/main amd64 Packages [9964 kB]
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Reading package lists...
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Reading state information...
Calculating upgrade...
The following packages will be upgraded:
libc-bin libc6
2 upgraded, 0 newly installed, 0 to remove and 0 not upgraded.
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debconf: delaying package configuration, since apt-utils is not installed
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Preparing to unpack .../libc-bin_2.40-3_amd64.deb ...
Unpacking libc-bin (2.40-3) over (2.40-2) ...
Setting up libc-bin (2.40-3) ...
Processing triggers for man-db (2.13.0-1) ...
+------------------------------------------------------------------------------+
| Fetch source files |
+------------------------------------------------------------------------------+
Local sources
-------------
/tmp/debusine-fetch-exec-upload-ka3ei1lb/chemps2_1.8.12-3.1.dsc exists in /tmp/debusine-fetch-exec-upload-ka3ei1lb; copying to chroot
I: NOTICE: Log filtering will replace 'build/chemps2-hFUBMg/chemps2-1.8.12' with '<<PKGBUILDDIR>>'
I: NOTICE: Log filtering will replace 'build/chemps2-hFUBMg' with '<<BUILDDIR>>'
+------------------------------------------------------------------------------+
| Install package build dependencies |
+------------------------------------------------------------------------------+
Setup apt archive
-----------------
Merged Build-Depends: dpkg-dev (>= 1.22.5), debhelper-compat (= 13), cmake, libblas-dev, liblapack-dev, libhdf5-dev, dh-sequence-python3, python3-all, python3-setuptools, python3-docutils, cython3-legacy, python3-numpy, libpython3-dev, build-essential, fakeroot, dumb-init, python3-sphinx, libjs-mathjax, libjs-jquery, libjs-underscore
Filtered Build-Depends: dpkg-dev (>= 1.22.5), debhelper-compat (= 13), cmake, libblas-dev, liblapack-dev, libhdf5-dev, dh-sequence-python3, python3-all, python3-setuptools, python3-docutils, cython3-legacy, python3-numpy, libpython3-dev, build-essential, fakeroot, dumb-init, python3-sphinx, libjs-mathjax, libjs-jquery, libjs-underscore
dpkg-deb: building package 'sbuild-build-depends-main-dummy' in '/<<RESOLVERDIR>>/apt_archive/sbuild-build-depends-main-dummy.deb'.
Ign:1 copy:/<<RESOLVERDIR>>/apt_archive ./ InRelease
Get:2 copy:/<<RESOLVERDIR>>/apt_archive ./ Release [609 B]
Ign:3 copy:/<<RESOLVERDIR>>/apt_archive ./ Release.gpg
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Ign:3 file:/<<BUILDDIR>>/resolver-LUQeTQ/apt_archive ./ Release.gpg
Reading package lists...
Reading package lists...
Install main build dependencies (apt-based resolver)
----------------------------------------------------
Installing build dependencies
Reading package lists...
Building dependency tree...
Reading state information...
The following additional packages will be installed:
autoconf automake autopoint autotools-dev build-essential cmake cmake-data
cpp cpp-14 cpp-14-x86-64-linux-gnu cpp-x86-64-linux-gnu cython3-legacy
debhelper dh-autoreconf dh-python dh-strip-nondeterminism docutils-common
dumb-init dwz fakeroot fonts-mathjax g++ g++-14 g++-14-x86-64-linux-gnu
g++-x86-64-linux-gnu gcc gcc-14 gcc-14-x86-64-linux-gnu gcc-x86-64-linux-gnu
hdf5-helpers libaec-dev libaec0 libarchive13t64 libasan8 libatomic1
libblas-dev libblas3 libbrotli-dev libbrotli1 libc-dev-bin libc6-dev
libcc1-0 libcrypt-dev libcurl4-openssl-dev libcurl4t64 libdebhelper-perl
libelf1t64 libevent-2.1-7t64 libexpat1 libexpat1-dev libfakeroot
libfile-stripnondeterminism-perl libgcc-14-dev libgfortran5 libgmp-dev
libgmpxx4ldbl libgnutls-dane0t64 libgnutls-openssl27t64 libgnutls28-dev
libgssapi-krb5-2 libhdf5-103-1t64 libhdf5-cpp-103-1t64 libhdf5-dev
libhdf5-fortran-102t64 libhdf5-hl-100t64 libhdf5-hl-cpp-100t64
libhdf5-hl-fortran-100t64 libhwasan0 libidn2-dev libisl23 libitm1
libjpeg-dev libjpeg62-turbo libjpeg62-turbo-dev libjs-jquery libjs-mathjax
libjs-sphinxdoc libjs-underscore libjson-perl libjsoncpp25 libk5crypto3
libkeyutils1 libkrb5-3 libkrb5support0 liblapack-dev liblapack3
libldap-2.5-0 liblsan0 libmpc3 libmpfr6 libncursesw6 libnghttp2-14
libnghttp2-dev libnsl2 libp11-kit-dev libpkgconf3 libproc2-0 libpsl-dev
libpsl5t64 libpython3-dev libpython3-stdlib libpython3.12-dev
libpython3.12-minimal libpython3.12-stdlib libpython3.12t64 libquadmath0
librhash0 librtmp-dev librtmp1 libsasl2-2 libsasl2-modules-db libssh2-1-dev
libssh2-1t64 libssl-dev libstdc++-14-dev libsz2 libtasn1-6-dev
libtirpc-common libtirpc3t64 libtool libtsan2 libubsan1 libunbound8
libuv1t64 libzstd-dev linux-libc-dev m4 media-types nettle-dev pkgconf
pkgconf-bin po-debconf procps python-babel-localedata python3
python3-alabaster python3-all python3-autocommand python3-babel
python3-certifi python3-chardet python3-charset-normalizer
python3-defusedxml python3-docutils python3-idna python3-imagesize
python3-inflect python3-jaraco.context python3-jaraco.functools
python3-jinja2 python3-markupsafe python3-minimal python3-more-itertools
python3-numpy python3-numpy-dev python3-packaging python3-pkg-resources
python3-pygments python3-requests python3-roman python3-setuptools
python3-snowballstemmer python3-sphinx python3-typeguard
python3-typing-extensions python3-urllib3 python3-zipp python3-zombie-imp
python3.12 python3.12-minimal rpcsvc-proto sgml-base sphinx-common xml-core
zlib1g-dev
Suggested packages:
autoconf-archive gnu-standards autoconf-doc cmake-doc cmake-format
elpa-cmake-mode ninja-build cpp-doc gcc-14-locales cpp-14-doc
cython-legacy-doc dh-make flit python3-build python3-installer python3-wheel
g++-multilib g++-14-multilib gcc-14-doc gcc-multilib manpages-dev flex bison
gdb gcc-doc gcc-14-multilib gdb-x86-64-linux-gnu lrzip liblapack-doc
libc-devtools glibc-doc libcurl4-doc libidn-dev libkrb5-dev libldap2-dev
gmp-doc libgmp10-doc libmpfr-dev dns-root-data gnutls-bin gnutls-doc
krb5-doc krb5-user libhdf5-doc fonts-mathjax-extras fonts-stix
libjs-mathjax-doc libnghttp2-doc p11-kit-doc libssl-doc libstdc++-14-doc
libtool-doc gfortran | fortran95-compiler gcj-jdk m4-doc libmail-box-perl
python3-doc python3-tk python3-venv python-charset-normalizer-doc
docutils-doc fonts-linuxlibertine | ttf-linux-libertine texlive-lang-french
texlive-latex-base texlive-latex-recommended python-jinja2-doc gfortran
python-numpy-doc python3-dev python3-pytest python-pygments-doc
ttf-bitstream-vera python3-cryptography python3-openssl python3-socks
python-requests-doc python-setuptools-doc python3-stemmer dvipng dvisvgm
fonts-freefont-otf imagemagick-6.q16 latexmk python3-sphinx-rtd-theme
sphinx-doc tex-gyre texlive-fonts-extra texlive-fonts-recommended
texlive-latex-extra texlive-plain-generic python3-brotli python3.12-venv
python3.12-doc binfmt-support sgml-base-doc
Recommended packages:
python3-dev manpages manpages-dev libarchive-cpio-perl javascript-common
libjson-xs-perl krb5-locales libldap-common libgpm2 publicsuffix
libsasl2-modules libtasn1-doc libltdl-dev libmail-sendmail-perl psmisc
linux-sysctl-defaults libpaper-utils python3-pil
The following NEW packages will be installed:
autoconf automake autopoint autotools-dev build-essential cmake cmake-data
cpp cpp-14 cpp-14-x86-64-linux-gnu cpp-x86-64-linux-gnu cython3-legacy
debhelper dh-autoreconf dh-python dh-strip-nondeterminism docutils-common
dumb-init dwz fakeroot fonts-mathjax g++ g++-14 g++-14-x86-64-linux-gnu
g++-x86-64-linux-gnu gcc gcc-14 gcc-14-x86-64-linux-gnu gcc-x86-64-linux-gnu
hdf5-helpers libaec-dev libaec0 libarchive13t64 libasan8 libatomic1
libblas-dev libblas3 libbrotli-dev libbrotli1 libc-dev-bin libc6-dev
libcc1-0 libcrypt-dev libcurl4-openssl-dev libcurl4t64 libdebhelper-perl
libelf1t64 libevent-2.1-7t64 libexpat1 libexpat1-dev libfakeroot
libfile-stripnondeterminism-perl libgcc-14-dev libgfortran5 libgmp-dev
libgmpxx4ldbl libgnutls-dane0t64 libgnutls-openssl27t64 libgnutls28-dev
libgssapi-krb5-2 libhdf5-103-1t64 libhdf5-cpp-103-1t64 libhdf5-dev
libhdf5-fortran-102t64 libhdf5-hl-100t64 libhdf5-hl-cpp-100t64
libhdf5-hl-fortran-100t64 libhwasan0 libidn2-dev libisl23 libitm1
libjpeg-dev libjpeg62-turbo libjpeg62-turbo-dev libjs-jquery libjs-mathjax
libjs-sphinxdoc libjs-underscore libjson-perl libjsoncpp25 libk5crypto3
libkeyutils1 libkrb5-3 libkrb5support0 liblapack-dev liblapack3
libldap-2.5-0 liblsan0 libmpc3 libmpfr6 libncursesw6 libnghttp2-14
libnghttp2-dev libnsl2 libp11-kit-dev libpkgconf3 libproc2-0 libpsl-dev
libpsl5t64 libpython3-dev libpython3-stdlib libpython3.12-dev
libpython3.12-minimal libpython3.12-stdlib libpython3.12t64 libquadmath0
librhash0 librtmp-dev librtmp1 libsasl2-2 libsasl2-modules-db libssh2-1-dev
libssh2-1t64 libssl-dev libstdc++-14-dev libsz2 libtasn1-6-dev
libtirpc-common libtirpc3t64 libtool libtsan2 libubsan1 libunbound8
libuv1t64 libzstd-dev linux-libc-dev m4 media-types nettle-dev pkgconf
pkgconf-bin po-debconf procps python-babel-localedata python3
python3-alabaster python3-all python3-autocommand python3-babel
python3-certifi python3-chardet python3-charset-normalizer
python3-defusedxml python3-docutils python3-idna python3-imagesize
python3-inflect python3-jaraco.context python3-jaraco.functools
python3-jinja2 python3-markupsafe python3-minimal python3-more-itertools
python3-numpy python3-numpy-dev python3-packaging python3-pkg-resources
python3-pygments python3-requests python3-roman python3-setuptools
python3-snowballstemmer python3-sphinx python3-typeguard
python3-typing-extensions python3-urllib3 python3-zipp python3-zombie-imp
python3.12 python3.12-minimal rpcsvc-proto sbuild-build-depends-main-dummy
sgml-base sphinx-common xml-core zlib1g-dev
0 upgraded, 176 newly installed, 0 to remove and 0 not upgraded.
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Get:2 file:/<<BUILDDIR>>/resolver-LUQeTQ/apt_archive ./ python3-numpy-dev 1:2.1.1+ds-3 [135 kB]
Get:3 http://deb.debian.org/debian sid/main amd64 libpython3.12-minimal amd64 3.12.6-1 [814 kB]
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Get:18 http://deb.debian.org/debian sid/main amd64 libpython3.12-stdlib amd64 3.12.6-1 [1963 kB]
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Get:33 http://deb.debian.org/debian sid/main amd64 rpcsvc-proto amd64 1.4.3-1 [63.3 kB]
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Get:37 http://deb.debian.org/debian sid/main amd64 libmpc3 amd64 1.3.1-1+b2 [52.1 kB]
Get:38 http://deb.debian.org/debian sid/main amd64 cpp-14-x86-64-linux-gnu amd64 14.2.0-5 [11.1 MB]
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Get:67 http://deb.debian.org/debian sid/main amd64 libnghttp2-14 amd64 1.63.0-1 [74.8 kB]
Get:68 http://deb.debian.org/debian sid/main amd64 libpsl5t64 amd64 0.21.2-1.1 [56.8 kB]
Get:69 http://deb.debian.org/debian sid/main amd64 librtmp1 amd64 2.4+20151223.gitfa8646d.1-2+b4 [58.5 kB]
Get:70 http://deb.debian.org/debian sid/main amd64 libssh2-1t64 amd64 1.11.0-7 [216 kB]
Get:71 http://deb.debian.org/debian sid/main amd64 libcurl4t64 amd64 8.10.1-1 [352 kB]
Get:72 http://deb.debian.org/debian sid/main amd64 libjsoncpp25 amd64 1.9.5-6+b2 [81.9 kB]
Get:73 http://deb.debian.org/debian sid/main amd64 librhash0 amd64 1.4.3-3+b1 [132 kB]
Get:74 http://deb.debian.org/debian sid/main amd64 libuv1t64 amd64 1.48.0-6 [148 kB]
Get:75 http://deb.debian.org/debian sid/main amd64 cmake-data all 3.30.3-1 [2221 kB]
Get:76 http://deb.debian.org/debian sid/main amd64 cmake amd64 3.30.3-1 [11.4 MB]
Get:77 http://deb.debian.org/debian sid/main amd64 python3-zombie-imp all 0.0.2-2 [11.7 kB]
Get:78 http://deb.debian.org/debian sid/main amd64 cython3-legacy amd64 0.29.37-2+b1 [1967 kB]
Get:79 http://deb.debian.org/debian sid/main amd64 libdebhelper-perl all 13.20 [89.7 kB]
Get:80 http://deb.debian.org/debian sid/main amd64 libtool all 2.4.7-7 [517 kB]
Get:81 http://deb.debian.org/debian sid/main amd64 dh-autoreconf all 20 [17.1 kB]
Get:82 http://deb.debian.org/debian sid/main amd64 libfile-stripnondeterminism-perl all 1.14.0-1 [19.5 kB]
Get:83 http://deb.debian.org/debian sid/main amd64 dh-strip-nondeterminism all 1.14.0-1 [8448 B]
Get:84 http://deb.debian.org/debian sid/main amd64 libelf1t64 amd64 0.191-2 [188 kB]
Get:85 http://deb.debian.org/debian sid/main amd64 dwz amd64 0.15-1+b1 [110 kB]
Get:86 http://deb.debian.org/debian sid/main amd64 po-debconf all 1.0.21+nmu1 [248 kB]
Get:87 http://deb.debian.org/debian sid/main amd64 debhelper all 13.20 [915 kB]
Get:88 http://deb.debian.org/debian sid/main amd64 python3-autocommand all 2.2.2-3 [13.6 kB]
Get:89 http://deb.debian.org/debian sid/main amd64 python3-more-itertools all 10.4.0-1 [63.7 kB]
Get:90 http://deb.debian.org/debian sid/main amd64 python3-typing-extensions all 4.12.2-2 [73.0 kB]
Get:91 http://deb.debian.org/debian sid/main amd64 python3-typeguard all 4.3.0-1 [36.5 kB]
Get:92 http://deb.debian.org/debian sid/main amd64 python3-inflect all 7.3.1-2 [32.4 kB]
Get:93 http://deb.debian.org/debian sid/main amd64 python3-jaraco.context all 6.0.0-1 [7984 B]
Get:94 http://deb.debian.org/debian sid/main amd64 python3-jaraco.functools all 4.0.2-1 [11.7 kB]
Get:95 http://deb.debian.org/debian sid/main amd64 python3-pkg-resources all 74.1.2-2 [213 kB]
Get:96 http://deb.debian.org/debian sid/main amd64 python3-zipp all 3.20.2-1 [10.3 kB]
Get:97 http://deb.debian.org/debian sid/main amd64 python3-setuptools all 74.1.2-2 [736 kB]
Get:98 http://deb.debian.org/debian sid/main amd64 dh-python all 6.20240824 [109 kB]
Get:99 http://deb.debian.org/debian sid/main amd64 xml-core all 0.19 [20.1 kB]
Get:100 http://deb.debian.org/debian sid/main amd64 docutils-common all 0.21.2+dfsg-2 [128 kB]
Get:101 http://deb.debian.org/debian sid/main amd64 dumb-init amd64 1.2.5-3 [13.4 kB]
Get:102 http://deb.debian.org/debian sid/main amd64 libfakeroot amd64 1.36-1 [29.1 kB]
Get:103 http://deb.debian.org/debian sid/main amd64 fakeroot amd64 1.36-1 [75.1 kB]
Get:104 http://deb.debian.org/debian sid/main amd64 fonts-mathjax all 2.7.9+dfsg-1 [2210 kB]
Get:105 http://deb.debian.org/debian sid/main amd64 hdf5-helpers amd64 1.10.10+repack-4 [23.5 kB]
Get:106 http://deb.debian.org/debian sid/main amd64 libaec0 amd64 1.1.3-1 [23.4 kB]
Get:107 http://deb.debian.org/debian sid/main amd64 libsz2 amd64 1.1.3-1 [7740 B]
Get:108 http://deb.debian.org/debian sid/main amd64 libaec-dev amd64 1.1.3-1 [21.0 kB]
Get:109 http://deb.debian.org/debian sid/main amd64 libblas3 amd64 3.12.0-3 [148 kB]
Get:110 http://deb.debian.org/debian sid/main amd64 libblas-dev amd64 3.12.0-3 [159 kB]
Get:111 http://deb.debian.org/debian sid/main amd64 libbrotli-dev amd64 1.1.0-2+b4 [313 kB]
Get:112 http://deb.debian.org/debian sid/main amd64 libidn2-dev amd64 2.3.7-2 [123 kB]
Get:113 http://deb.debian.org/debian sid/main amd64 libpkgconf3 amd64 1.8.1-3 [36.2 kB]
Get:114 http://deb.debian.org/debian sid/main amd64 pkgconf-bin amd64 1.8.1-3 [29.9 kB]
Get:115 http://deb.debian.org/debian sid/main amd64 pkgconf amd64 1.8.1-3 [26.1 kB]
Get:116 http://deb.debian.org/debian sid/main amd64 libnghttp2-dev amd64 1.63.0-1 [115 kB]
Get:117 http://deb.debian.org/debian sid/main amd64 libpsl-dev amd64 0.21.2-1.1 [77.4 kB]
Get:118 http://deb.debian.org/debian sid/main amd64 libgmpxx4ldbl amd64 2:6.3.0+dfsg-2+b1 [329 kB]
Get:119 http://deb.debian.org/debian sid/main amd64 libgmp-dev amd64 2:6.3.0+dfsg-2+b1 [640 kB]
Get:120 http://deb.debian.org/debian sid/main amd64 libevent-2.1-7t64 amd64 2.1.12-stable-10 [181 kB]
Get:121 http://deb.debian.org/debian sid/main amd64 libunbound8 amd64 1.20.0-1+b1 [583 kB]
Get:122 http://deb.debian.org/debian sid/main amd64 libgnutls-dane0t64 amd64 3.8.6-2 [439 kB]
Get:123 http://deb.debian.org/debian sid/main amd64 libgnutls-openssl27t64 amd64 3.8.6-2 [439 kB]
Get:124 http://deb.debian.org/debian sid/main amd64 libp11-kit-dev amd64 0.25.5-2 [208 kB]
Get:125 http://deb.debian.org/debian sid/main amd64 libtasn1-6-dev amd64 4.19.0-3+b2 [98.0 kB]
Get:126 http://deb.debian.org/debian sid/main amd64 nettle-dev amd64 3.10-1 [1316 kB]
Get:127 http://deb.debian.org/debian sid/main amd64 libgnutls28-dev amd64 3.8.6-2 [1381 kB]
Get:128 http://deb.debian.org/debian sid/main amd64 zlib1g-dev amd64 1:1.3.dfsg+really1.3.1-1 [919 kB]
Get:129 http://deb.debian.org/debian sid/main amd64 librtmp-dev amd64 2.4+20151223.gitfa8646d.1-2+b4 [67.7 kB]
Get:130 http://deb.debian.org/debian sid/main amd64 libssl-dev amd64 3.3.2-1 [2742 kB]
Get:131 http://deb.debian.org/debian sid/main amd64 libssh2-1-dev amd64 1.11.0-7 [357 kB]
Get:132 http://deb.debian.org/debian sid/main amd64 libzstd-dev amd64 1.5.6+dfsg-1 [368 kB]
Get:133 http://deb.debian.org/debian sid/main amd64 libcurl4-openssl-dev amd64 8.10.1-1 [462 kB]
Get:134 http://deb.debian.org/debian sid/main amd64 libexpat1-dev amd64 2.6.3-1 [157 kB]
Get:135 http://deb.debian.org/debian sid/main amd64 libgfortran5 amd64 14.2.0-5 [837 kB]
Get:136 http://deb.debian.org/debian sid/main amd64 libhdf5-103-1t64 amd64 1.10.10+repack-4 [1253 kB]
Get:137 http://deb.debian.org/debian sid/main amd64 libhdf5-cpp-103-1t64 amd64 1.10.10+repack-4 [130 kB]
Get:138 http://deb.debian.org/debian sid/main amd64 libhdf5-fortran-102t64 amd64 1.10.10+repack-4 [89.5 kB]
Get:139 http://deb.debian.org/debian sid/main amd64 libhdf5-hl-100t64 amd64 1.10.10+repack-4 [63.9 kB]
Get:140 http://deb.debian.org/debian sid/main amd64 libhdf5-hl-fortran-100t64 amd64 1.10.10+repack-4 [40.5 kB]
Get:141 http://deb.debian.org/debian sid/main amd64 libhdf5-hl-cpp-100t64 amd64 1.10.10+repack-4 [21.4 kB]
Get:142 http://deb.debian.org/debian sid/main amd64 libjpeg62-turbo amd64 1:2.1.5-3 [167 kB]
Get:143 http://deb.debian.org/debian sid/main amd64 libjpeg62-turbo-dev amd64 1:2.1.5-3 [290 kB]
Get:144 http://deb.debian.org/debian sid/main amd64 libjpeg-dev amd64 1:2.1.5-3 [71.9 kB]
Get:145 http://deb.debian.org/debian sid/main amd64 libhdf5-dev amd64 1.10.10+repack-4 [2652 kB]
Get:146 http://deb.debian.org/debian sid/main amd64 libjs-jquery all 3.6.1+dfsg+~3.5.14-1 [326 kB]
Get:147 http://deb.debian.org/debian sid/main amd64 libjs-mathjax all 2.7.9+dfsg-1 [5667 kB]
Get:148 http://deb.debian.org/debian sid/main amd64 libjs-underscore all 1.13.4~dfsg+~1.11.4-3 [116 kB]
Get:149 http://deb.debian.org/debian sid/main amd64 libjs-sphinxdoc all 7.4.7-3 [158 kB]
Get:150 http://deb.debian.org/debian sid/main amd64 libjson-perl all 4.10000-1 [87.5 kB]
Get:151 http://deb.debian.org/debian sid/main amd64 liblapack3 amd64 3.12.0-3 [2407 kB]
Get:152 http://deb.debian.org/debian sid/main amd64 liblapack-dev amd64 3.12.0-3 [4880 kB]
Get:153 http://deb.debian.org/debian sid/main amd64 libpython3.12t64 amd64 3.12.6-1 [2147 kB]
Get:154 http://deb.debian.org/debian sid/main amd64 libpython3.12-dev amd64 3.12.6-1 [5127 kB]
Get:155 http://deb.debian.org/debian sid/main amd64 libpython3-dev amd64 3.12.6-1 [9952 B]
Get:156 http://deb.debian.org/debian sid/main amd64 python-babel-localedata all 2.14.0-1 [5701 kB]
Get:157 http://deb.debian.org/debian sid/main amd64 python3-alabaster all 0.7.16-0.1 [27.9 kB]
Get:158 http://deb.debian.org/debian sid/main amd64 python3-all amd64 3.12.6-1 [1040 B]
Get:159 http://deb.debian.org/debian sid/main amd64 python3-babel all 2.14.0-1 [111 kB]
Get:160 http://deb.debian.org/debian sid/main amd64 python3-certifi all 2024.8.30-1 [159 kB]
Get:161 http://deb.debian.org/debian sid/main amd64 python3-chardet all 5.2.0+dfsg-1 [107 kB]
Get:162 http://deb.debian.org/debian sid/main amd64 python3-charset-normalizer amd64 3.3.2-4 [117 kB]
Get:163 http://deb.debian.org/debian sid/main amd64 python3-defusedxml all 0.7.1-2 [43.3 kB]
Get:164 http://deb.debian.org/debian sid/main amd64 python3-roman all 4.2-1 [10.4 kB]
Get:165 http://deb.debian.org/debian sid/main amd64 python3-docutils all 0.21.2+dfsg-2 [403 kB]
Get:166 http://deb.debian.org/debian sid/main amd64 python3-idna all 3.8-2 [41.6 kB]
Get:167 http://deb.debian.org/debian sid/main amd64 python3-imagesize all 1.4.1-1 [6688 B]
Get:168 http://deb.debian.org/debian sid/main amd64 python3-markupsafe amd64 2.1.5-1+b1 [13.6 kB]
Get:169 http://deb.debian.org/debian sid/main amd64 python3-jinja2 all 3.1.3-1 [119 kB]
Get:170 http://deb.debian.org/debian sid/main amd64 python3-packaging all 24.1-1 [45.8 kB]
Get:171 http://deb.debian.org/debian sid/main amd64 python3-pygments all 2.18.0+dfsg-1 [836 kB]
Get:172 http://deb.debian.org/debian sid/main amd64 python3-urllib3 all 2.0.7-2 [111 kB]
Get:173 http://deb.debian.org/debian sid/main amd64 python3-requests all 2.32.3+dfsg-1 [71.9 kB]
Get:174 http://deb.debian.org/debian sid/main amd64 python3-snowballstemmer all 2.2.0-4 [58.0 kB]
Get:175 http://deb.debian.org/debian sid/main amd64 sphinx-common all 7.4.7-3 [731 kB]
Get:176 http://deb.debian.org/debian sid/main amd64 python3-sphinx all 7.4.7-3 [588 kB]
debconf: delaying package configuration, since apt-utils is not installed
Fetched 146 MB in 1s (107 MB/s)
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Unpacking libpython3.12-minimal:amd64 (3.12.6-1) ...
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Unpacking libexpat1:amd64 (2.6.3-1) ...
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Unpacking python3.12-minimal (3.12.6-1) ...
Setting up libpython3.12-minimal:amd64 (3.12.6-1) ...
Setting up libexpat1:amd64 (2.6.3-1) ...
Setting up python3.12-minimal (3.12.6-1) ...
Selecting previously unselected package python3-minimal.
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Unpacking python3-minimal (3.12.6-1) ...
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Unpacking libkrb5support0:amd64 (1.21.3-3) ...
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Unpacking libk5crypto3:amd64 (1.21.3-3) ...
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Unpacking libkeyutils1:amd64 (1.6.3-3) ...
Selecting previously unselected package libkrb5-3:amd64.
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Unpacking libkrb5-3:amd64 (1.21.3-3) ...
Selecting previously unselected package libgssapi-krb5-2:amd64.
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Unpacking libgssapi-krb5-2:amd64 (1.21.3-3) ...
Selecting previously unselected package libtirpc-common.
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Unpacking libtirpc-common (1.3.4+ds-1.3) ...
Selecting previously unselected package libtirpc3t64:amd64.
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Adding 'diversion of /lib/x86_64-linux-gnu/libtirpc.so.3 to /lib/x86_64-linux-gnu/libtirpc.so.3.usr-is-merged by libtirpc3t64'
Adding 'diversion of /lib/x86_64-linux-gnu/libtirpc.so.3.0.0 to /lib/x86_64-linux-gnu/libtirpc.so.3.0.0.usr-is-merged by libtirpc3t64'
Unpacking libtirpc3t64:amd64 (1.3.4+ds-1.3) ...
Selecting previously unselected package libnsl2:amd64.
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Unpacking libnsl2:amd64 (1.3.0-3+b2) ...
Selecting previously unselected package libpython3.12-stdlib:amd64.
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Unpacking libpython3.12-stdlib:amd64 (3.12.6-1) ...
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Unpacking python3.12 (3.12.6-1) ...
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Unpacking libpython3-stdlib:amd64 (3.12.6-1) ...
Setting up python3-minimal (3.12.6-1) ...
Selecting previously unselected package python3.
(Reading database ... 17157 files and directories currently installed.)
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Unpacking python3 (3.12.6-1) ...
Selecting previously unselected package sgml-base.
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Unpacking sgml-base (1.31) ...
Selecting previously unselected package libproc2-0:amd64.
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Unpacking libproc2-0:amd64 (2:4.0.4-5) ...
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Unpacking procps (2:4.0.4-5) ...
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Unpacking m4 (1.4.19-4) ...
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Unpacking autoconf (2.72-3) ...
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Unpacking autotools-dev (20220109.1) ...
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Unpacking automake (1:1.16.5-1.3) ...
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Unpacking autopoint (0.22.5-2) ...
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Unpacking libc-dev-bin (2.40-3) ...
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Unpacking linux-libc-dev (6.10.11-1) ...
Selecting previously unselected package libcrypt-dev:amd64.
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Unpacking libcrypt-dev:amd64 (1:4.4.36-5) ...
Selecting previously unselected package rpcsvc-proto.
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Unpacking rpcsvc-proto (1.4.3-1) ...
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Unpacking libc6-dev:amd64 (2.40-3) ...
Selecting previously unselected package libisl23:amd64.
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Unpacking libisl23:amd64 (0.27-1) ...
Selecting previously unselected package libmpfr6:amd64.
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Unpacking libmpfr6:amd64 (4.2.1-1+b1) ...
Selecting previously unselected package libmpc3:amd64.
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Unpacking libmpc3:amd64 (1.3.1-1+b2) ...
Selecting previously unselected package cpp-14-x86-64-linux-gnu.
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Unpacking cpp-14-x86-64-linux-gnu (14.2.0-5) ...
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Unpacking cpp-14 (14.2.0-5) ...
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Unpacking cpp-x86-64-linux-gnu (4:14.1.0-2) ...
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Unpacking cpp (4:14.1.0-2) ...
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Unpacking libcc1-0:amd64 (14.2.0-5) ...
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Unpacking libitm1:amd64 (14.2.0-5) ...
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Unpacking libatomic1:amd64 (14.2.0-5) ...
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Unpacking libasan8:amd64 (14.2.0-5) ...
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Unpacking liblsan0:amd64 (14.2.0-5) ...
Selecting previously unselected package libtsan2:amd64.
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Unpacking libtsan2:amd64 (14.2.0-5) ...
Selecting previously unselected package libubsan1:amd64.
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Unpacking libubsan1:amd64 (14.2.0-5) ...
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Unpacking libhwasan0:amd64 (14.2.0-5) ...
Selecting previously unselected package libquadmath0:amd64.
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Unpacking libquadmath0:amd64 (14.2.0-5) ...
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+------------------------------------------------------------------------------+
| Check architectures |
+------------------------------------------------------------------------------+
Arch check ok (amd64 included in any all)
+------------------------------------------------------------------------------+
| Build environment |
+------------------------------------------------------------------------------+
Kernel: Linux 6.1.0-25-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.106-3 (2024-08-26) amd64 (x86_64)
Toolchain package versions: binutils_2.43.1-5 dpkg-dev_1.22.11 g++-14_14.2.0-5 gcc-14_14.2.0-5 libc6-dev_2.40-3 libstdc++-14-dev_14.2.0-5 libstdc++6_14.2.0-5 linux-libc-dev_6.10.11-1
Package versions: apt_2.9.8 autoconf_2.72-3 automake_1:1.16.5-1.3 autopoint_0.22.5-2 autotools-dev_20220109.1 base-files_13.5 base-passwd_3.6.4 bash_5.2.32-1+b1 binutils_2.43.1-5 binutils-common_2.43.1-5 binutils-x86-64-linux-gnu_2.43.1-5 bsdextrautils_2.40.2-8 bsdutils_1:2.40.2-8 build-essential_12.10 bzip2_1.0.8-6 ca-certificates_20240203 cmake_3.30.3-1 cmake-data_3.30.3-1 coreutils_9.4-3.1 cpp_4:14.1.0-2 cpp-14_14.2.0-5 cpp-14-x86-64-linux-gnu_14.2.0-5 cpp-x86-64-linux-gnu_4:14.1.0-2 cython3-legacy_0.29.37-2+b1 dash_0.5.12-9 debconf_1.5.87 debhelper_13.20 debian-archive-keyring_2023.4 debianutils_5.20 dh-autoreconf_20 dh-python_6.20240824 dh-strip-nondeterminism_1.14.0-1 diffstat_1.66-1 diffutils_1:3.10-1 docutils-common_0.21.2+dfsg-2 dpkg_1.22.11 dpkg-dev_1.22.11 dumb-init_1.2.5-3 dwz_0.15-1+b1 e2fsprogs_1.47.1-1 fakeroot_1.36-1 file_1:5.45-3 findutils_4.10.0-3 fonts-mathjax_2.7.9+dfsg-1 g++_4:14.1.0-2 g++-14_14.2.0-5 g++-14-x86-64-linux-gnu_14.2.0-5 g++-x86-64-linux-gnu_4:14.1.0-2 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libhdf5-hl-fortran-100t64_1.10.10+repack-4 libhogweed6t64_3.10-1 libhtml-form-perl_6.11-1 libhtml-html5-entities-perl_0.004-3 libhtml-parser-perl_3.83-1 libhtml-tagset-perl_3.24-1 libhtml-tokeparser-simple-perl_3.16-4 libhtml-tree-perl_5.07-3 libhttp-cookies-perl_6.11-1 libhttp-date-perl_6.06-1 libhttp-message-perl_6.46-1 libhttp-negotiate-perl_6.01-2 libhwasan0_14.2.0-5 libicu72_72.1-5 libidn2-0_2.3.7-2 libidn2-dev_2.3.7-2 libimport-into-perl_1.002005-2 libio-html-perl_1.004-3 libio-interactive-perl_1.025-1 libio-socket-ssl-perl_2.089-1 libio-string-perl_1.08-4 libipc-run3-perl_0.049-1 libipc-system-simple-perl_1.30-2 libisl23_0.27-1 libiterator-perl_0.03+ds1-2 libiterator-util-perl_0.02+ds1-2 libitm1_14.2.0-5 libjansson4_2.14-2+b2 libjpeg-dev_1:2.1.5-3 libjpeg62-turbo_1:2.1.5-3 libjpeg62-turbo-dev_1:2.1.5-3 libjs-jquery_3.6.1+dfsg+~3.5.14-1 libjs-mathjax_2.7.9+dfsg-1 libjs-sphinxdoc_7.4.7-3 libjs-underscore_1.13.4~dfsg+~1.11.4-3 libjson-maybexs-perl_1.004008-1 libjson-perl_4.10000-1 libjsoncpp25_1.9.5-6+b2 libk5crypto3_1.21.3-3 libkeyutils1_1.6.3-3 libkrb5-3_1.21.3-3 libkrb5support0_1.21.3-3 liblapack-dev_3.12.0-3 liblapack3_3.12.0-3 libldap-2.5-0_2.5.18+dfsg-3 liblist-compare-perl_0.55-2 liblist-someutils-perl_0.59-1 liblist-utilsby-perl_0.12-2 liblsan0_14.2.0-5 liblwp-mediatypes-perl_6.04-2 liblwp-protocol-https-perl_6.14-1 liblz1_1.15~pre1-1 liblz4-1_1.9.4-3 liblzma5_5.6.2-2 liblzo2-2_2.10-3 libmagic-mgc_1:5.45-3 libmagic1t64_1:5.45-3 libmarkdown2_2.2.7-2+b1 libmd0_1.1.0-2 libmldbm-perl_2.05-4 libmodule-implementation-perl_0.09-2 libmodule-runtime-perl_0.016-2 libmoo-perl_2.005005-1 libmoox-aliases-perl_0.001006-2 libmount1_2.40.2-8 libmouse-perl_2.5.11-1 libmpc3_1.3.1-1+b2 libmpfr6_4.2.1-1+b1 libnamespace-clean-perl_0.27-2 libncursesw6_6.5-2 libnet-domain-tld-perl_1.75-4 libnet-http-perl_6.23-1 libnet-ipv6addr-perl_1.02-1 libnet-netmask-perl_2.0002-2 libnet-ssleay-perl_1.94-1+b1 libnetaddr-ip-perl_4.079+dfsg-2+b3 libnettle8t64_3.10-1 libnghttp2-14_1.63.0-1 libnghttp2-dev_1.63.0-1 libnsl2_1.3.0-3+b2 libnumber-compare-perl_0.03-3 libp11-kit-dev_0.25.5-2 libp11-kit0_0.25.5-2 libpackage-stash-perl_0.40-1 libpam-modules_1.5.3-7 libpam-modules-bin_1.5.3-7 libpam-runtime_1.5.3-7 libpam0g_1.5.3-7 libparams-classify-perl_0.015-2+b3 libparams-util-perl_1.102-3 libpath-tiny-perl_0.146-1 libpcre2-8-0_10.42-4+b1 libperl5.38t64_5.38.2-5 libperlio-gzip-perl_0.20-1+b3 libperlio-utf8-strict-perl_0.010-1+b2 libpipeline1_1.5.8-1 libpkgconf3_1.8.1-3 libproc-processtable-perl_0.636-1+b2 libproc2-0_2:4.0.4-5 libpsl-dev_0.21.2-1.1 libpsl5t64_0.21.2-1.1 libpython3-dev_3.12.6-1 libpython3-stdlib_3.12.6-1 libpython3.12-dev_3.12.6-1 libpython3.12-minimal_3.12.6-1 libpython3.12-stdlib_3.12.6-1 libpython3.12t64_3.12.6-1 libquadmath0_14.2.0-5 libreadline8t64_8.2-5 libregexp-wildcards-perl_1.05-3 librhash0_1.4.3-3+b1 librole-tiny-perl_2.002004-1 librtmp-dev_2.4+20151223.gitfa8646d.1-2+b4 librtmp1_2.4+20151223.gitfa8646d.1-2+b4 libsasl2-2_2.1.28+dfsg1-8 libsasl2-modules-db_2.1.28+dfsg1-8 libseccomp2_2.5.5-1+b1 libselinux1_3.7-3 libsemanage-common_3.7-2 libsemanage2_3.7-2 libsepol2_3.7-1 libsereal-decoder-perl_5.004+ds-1+b2 libsereal-encoder-perl_5.004+ds-1+b2 libsframe1_2.43.1-5 libsmartcols1_2.40.2-8 libsort-versions-perl_1.62-3 libsqlite3-0_3.46.1-1 libss2_1.47.1-1 libssh2-1-dev_1.11.0-7 libssh2-1t64_1.11.0-7 libssl-dev_3.3.2-1 libssl3t64_3.3.2-1 libstdc++-14-dev_14.2.0-5 libstdc++6_14.2.0-5 libstrictures-perl_2.000006-1 libsub-exporter-perl_0.990-1 libsub-exporter-progressive-perl_0.001013-3 libsub-identify-perl_0.14-3+b2 libsub-install-perl_0.929-1 libsub-name-perl_0.27-1+b2 libsub-quote-perl_2.006008-1 libsyntax-keyword-try-perl_0.30-1 libsystemd0_256.6-1 libsz2_1.1.3-1 libtasn1-6_4.19.0-3+b2 libtasn1-6-dev_4.19.0-3+b2 libterm-readkey-perl_2.38-2+b3 libtext-glob-perl_0.11-3 libtext-levenshteinxs-perl_0.03-5+b3 libtext-markdown-discount-perl_0.16-1+b2 libtext-xslate-perl_3.5.9-2 libtime-duration-perl_1.21-2 libtime-moment-perl_0.44-2+b3 libtimedate-perl_2.3300-2 libtinfo6_6.5-2 libtirpc-common_1.3.4+ds-1.3 libtirpc3t64_1.3.4+ds-1.3 libtool_2.4.7-7 libtry-tiny-perl_0.32-1 libtsan2_14.2.0-5 libubsan1_14.2.0-5 libuchardet0_0.0.8-1+b1 libudev1_256.6-1 libunbound8_1.20.0-1+b1 libunicode-utf8-perl_0.62-2+b2 libunistring5_1.2-1 liburi-perl_5.29-1 libuuid1_2.40.2-8 libuv1t64_1.48.0-6 libvariable-magic-perl_0.64-1 libwww-mechanize-perl_2.19-1 libwww-perl_6.77-1 libwww-robotrules-perl_6.02-1 libxml-libxml-perl_2.0207+dfsg+really+2.0134-4 libxml-namespacesupport-perl_1.12-2 libxml-sax-base-perl_1.09-3 libxml-sax-perl_1.02+dfsg-3 libxml2_2.12.7+dfsg-3+b1 libxs-parse-keyword-perl_0.46-1 libxxhash0_0.8.2-2+b1 libyaml-0-2_0.2.5-1+b1 libyaml-libyaml-perl_0.902.0+ds-1 libzstd-dev_1.5.6+dfsg-1 libzstd1_1.5.6+dfsg-1 lintian_2.118.2 linux-libc-dev_6.10.11-1 login_1:4.16.0-2+really2.40.2-8 login.defs_1:4.16.0-4 logsave_1.47.1-1 lzop_1.04-2 m4_1.4.19-4 make_4.3-4.1 man-db_2.13.0-1 mawk_1.3.4.20240905-1 media-types_10.1.0 mount_2.40.2-8 ncurses-base_6.5-2 ncurses-bin_6.5-2 netbase_6.4 nettle-dev_3.10-1 openssl_3.3.2-1 openssl-provider-legacy_3.3.2-1 passwd_1:4.16.0-4 patch_2.7.6-7 patchutils_0.4.2-1 perl_5.38.2-5 perl-base_5.38.2-5 perl-modules-5.38_5.38.2-5 perl-openssl-defaults_7+b2 pkgconf_1.8.1-3 pkgconf-bin_1.8.1-3 plzip_1.11-2 po-debconf_1.0.21+nmu1 procps_2:4.0.4-5 python-babel-localedata_2.14.0-1 python3_3.12.6-1 python3-alabaster_0.7.16-0.1 python3-all_3.12.6-1 python3-autocommand_2.2.2-3 python3-babel_2.14.0-1 python3-certifi_2024.8.30-1 python3-chardet_5.2.0+dfsg-1 python3-charset-normalizer_3.3.2-4 python3-defusedxml_0.7.1-2 python3-docutils_0.21.2+dfsg-2 python3-idna_3.8-2 python3-imagesize_1.4.1-1 python3-inflect_7.3.1-2 python3-jaraco.context_6.0.0-1 python3-jaraco.functools_4.0.2-1 python3-jinja2_3.1.3-1 python3-markupsafe_2.1.5-1+b1 python3-minimal_3.12.6-1 python3-more-itertools_10.4.0-1 python3-numpy_1:2.1.1+ds-3 python3-numpy-dev_1:2.1.1+ds-3 python3-packaging_24.1-1 python3-pkg-resources_74.1.2-2 python3-pygments_2.18.0+dfsg-1 python3-requests_2.32.3+dfsg-1 python3-roman_4.2-1 python3-setuptools_74.1.2-2 python3-snowballstemmer_2.2.0-4 python3-sphinx_7.4.7-3 python3-typeguard_4.3.0-1 python3-typing-extensions_4.12.2-2 python3-urllib3_2.0.7-2 python3-zipp_3.20.2-1 python3-zombie-imp_0.0.2-2 python3.12_3.12.6-1 python3.12-minimal_3.12.6-1 readline-common_8.2-5 rpcsvc-proto_1.4.3-1 sbuild-build-depends-main-dummy_0.invalid.0 sed_4.9-2 sensible-utils_0.0.24 sgml-base_1.31 sphinx-common_7.4.7-3 sysvinit-utils_3.10-2 t1utils_1.41-4 tar_1.35+dfsg-3 tzdata_2024a-4 ucf_3.0043+nmu1 unzip_6.0-28 util-linux_2.40.2-8 xml-core_0.19 xz-utils_5.6.2-2 zlib1g_1:1.3.dfsg+really1.3.1-1 zlib1g-dev_1:1.3.dfsg+really1.3.1-1
+------------------------------------------------------------------------------+
| Build |
+------------------------------------------------------------------------------+
Unpack source
-------------
-----BEGIN PGP SIGNED MESSAGE-----
Hash: SHA512
Format: 3.0 (quilt)
Source: chemps2
Binary: libchemps2-3t64, libchemps2-dev, chemps2-doc, chemps2, python3-chemps2
Architecture: any all
Version: 1.8.12-3.1
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Uploaders: Sebastian Wouters <sebastianwouters@gmail.com>, Michael Banck <mbanck@debian.org>
Homepage: https://sebwouters.github.io/CheMPS2/index.html
Standards-Version: 4.6.2
Vcs-Browser: https://salsa.debian.org/debichem-team/chemps2
Vcs-Git: https://salsa.debian.org/debichem-team/chemps2.git
Testsuite: autopkgtest
Testsuite-Triggers: cmake, g++, libhdf5-dev, python3-all, python3-numpy
Build-Depends: dpkg-dev (>= 1.22.5), debhelper-compat (= 13), cmake, libblas-dev, liblapack-dev, libhdf5-dev, dh-sequence-python3, python3-all, python3-setuptools, python3-docutils, cython3-legacy, python3-numpy, libpython3-dev
Build-Depends-Indep: python3-sphinx, libjs-mathjax, libjs-jquery, libjs-underscore
Package-List:
chemps2 deb science optional arch=any
chemps2-doc deb doc optional arch=all
libchemps2-3t64 deb libs optional arch=any
libchemps2-dev deb libdevel optional arch=any
python3-chemps2 deb python optional arch=any
Checksums-Sha1:
67941ec12056a3c7b004650dad67ee1664d75826 1250047 chemps2_1.8.12.orig.tar.gz
098c52c37c9932571ee8ef30b7bbabe2ba21678c 15368 chemps2_1.8.12-3.1.debian.tar.xz
Checksums-Sha256:
eef1b92d74ac07fde58c043f64e8cac02b5400c209c44dcbb51641f86e0c7c83 1250047 chemps2_1.8.12.orig.tar.gz
3ec5411320219a95b324e3963dacbbeccc8042c301ccadcb105a38d08996620e 15368 chemps2_1.8.12-3.1.debian.tar.xz
Files:
66811448c478d39cc3407a972bd958a0 1250047 chemps2_1.8.12.orig.tar.gz
5459ca83e41e0f20565e4dfe8306a284 15368 chemps2_1.8.12-3.1.debian.tar.xz
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gpgv: Signature made Wed Feb 28 15:32:53 2024 UTC
gpgv: using RSA key AC483F68DE728F43F2202FCA568D30F321B2133D
gpgv: issuer "vorlon@debian.org"
gpgv: Can't check signature: No public key
dpkg-source: warning: cannot verify inline signature for ./chemps2_1.8.12-3.1.dsc: no acceptable signature found
dpkg-source: info: extracting chemps2 in /<<PKGBUILDDIR>>
dpkg-source: info: unpacking chemps2_1.8.12.orig.tar.gz
dpkg-source: info: unpacking chemps2_1.8.12-3.1.debian.tar.xz
Check disk space
----------------
Sufficient free space for build
User Environment
----------------
APT_CONFIG=/var/lib/sbuild/apt.conf
HOME=/sbuild-nonexistent
LANG=en_US.UTF-8
LC_ALL=C.UTF-8
LOGNAME=debusine-worker
OLDPWD=/
PATH=/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games
PWD=/<<PKGBUILDDIR>>
SHELL=/bin/sh
USER=debusine-worker
dpkg-buildpackage
-----------------
Command: dpkg-buildpackage --sanitize-env -us -uc -b -rfakeroot
dpkg-buildpackage: info: source package chemps2
dpkg-buildpackage: info: source version 1.8.12-3.1
dpkg-buildpackage: info: source distribution unstable
dpkg-buildpackage: info: source changed by Steve Langasek <vorlon@debian.org>
dpkg-source --before-build .
dpkg-buildpackage: info: host architecture amd64
debian/rules clean
dh clean
debian/rules override_dh_clean
make[1]: Entering directory '/<<PKGBUILDDIR>>'
dh_clean
rm -rf build-sphinx PyCheMPS2/build PyCheMPS2/PyCheMPS2.cpp PyCheMPS2/*.pyc PyCheMPS2/CheMPS2.egg-info
make[1]: Leaving directory '/<<PKGBUILDDIR>>'
debian/rules binary
dh binary
dh_update_autotools_config
dh_autoreconf
debian/rules override_dh_auto_configure
make[1]: Entering directory '/<<PKGBUILDDIR>>'
dh_auto_configure -- -DCMAKE_INSTALL_LIBDIR=lib/x86_64-linux-gnu \
-DENABLE_XHOST=OFF \
-DBUILD_SPHINX=ON \
-DHDF5_INCLUDE_DIRS=/usr/include/hdf5/serial \
-DCMAKE_BUILD_TYPE=release
cd obj-x86_64-linux-gnu && DEB_PYTHON_INSTALL_LAYOUT=deb PKG_CONFIG=/usr/bin/pkg-config cmake -DCMAKE_INSTALL_PREFIX=/usr -DCMAKE_BUILD_TYPE=None -DCMAKE_INSTALL_SYSCONFDIR=/etc -DCMAKE_INSTALL_LOCALSTATEDIR=/var -DCMAKE_EXPORT_NO_PACKAGE_REGISTRY=ON -DCMAKE_FIND_USE_PACKAGE_REGISTRY=OFF -DCMAKE_FIND_PACKAGE_NO_PACKAGE_REGISTRY=ON -DFETCHCONTENT_FULLY_DISCONNECTED=ON -DCMAKE_INSTALL_RUNSTATEDIR=/run -DCMAKE_SKIP_INSTALL_ALL_DEPENDENCY=ON "-GUnix Makefiles" -DCMAKE_VERBOSE_MAKEFILE=ON -DCMAKE_INSTALL_LIBDIR=lib/x86_64-linux-gnu -DCMAKE_INSTALL_LIBDIR=lib/x86_64-linux-gnu -DENABLE_XHOST=OFF -DBUILD_SPHINX=ON -DHDF5_INCLUDE_DIRS=/usr/include/hdf5/serial -DCMAKE_BUILD_TYPE=release ..
CMake Warning (dev) at CMakeLists.txt:1 (project):
cmake_minimum_required() should be called prior to this top-level project()
call. Please see the cmake-commands(7) manual for usage documentation of
both commands.
This warning is for project developers. Use -Wno-dev to suppress it.
-- The C compiler identification is GNU 14.2.0
-- The CXX compiler identification is GNU 14.2.0
-- Detecting C compiler ABI info
-- Detecting C compiler ABI info - done
-- Check for working C compiler: /usr/bin/cc - skipped
-- Detecting C compile features
-- Detecting C compile features - done
-- Detecting CXX compiler ABI info
-- Detecting CXX compiler ABI info - done
-- Check for working CXX compiler: /usr/bin/c++ - skipped
-- Detecting CXX compile features
-- Detecting CXX compile features - done
CMake Deprecation Warning at CMakeLists.txt:12 (cmake_minimum_required):
Compatibility with CMake < 3.5 will be removed from a future version of
CMake.
Update the VERSION argument <min> value or use a ...<max> suffix to tell
CMake that the project does not need compatibility with older versions.
-- The CMake build type is release
-- Found OpenMP_C: -fopenmp (found version "4.5")
-- Found OpenMP_CXX: -fopenmp (found version "4.5")
-- Found OpenMP: TRUE (found version "4.5")
-- Performing Test HAS_IPO
-- Performing Test HAS_IPO - Failed
-- Performing Test HAS_FLTO
-- Performing Test HAS_FLTO - Success
-- Performing Test CMAKE_HAVE_LIBC_PTHREAD
-- Performing Test CMAKE_HAVE_LIBC_PTHREAD - Success
-- Found Threads: TRUE
-- LAPACK detected.
-- Found TargetLAPACK: Found LAPACK: /usr/lib/x86_64-linux-gnu/liblapack.so;/usr/lib/x86_64-linux-gnu/libblas.so
-- HDF5 detected.
-- Found TargetHDF5: Found HDF5: /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so;/usr/lib/x86_64-linux-gnu/libcrypto.so;/usr/lib/x86_64-linux-gnu/libcurl.so;/usr/lib/x86_64-linux-gnu/libpthread.a;/usr/lib/x86_64-linux-gnu/libsz.so;/usr/lib/x86_64-linux-gnu/libz.so;/usr/lib/x86_64-linux-gnu/libdl.a;/usr/lib/x86_64-linux-gnu/libm.so (found version 1.10.10) (found version "1.10.10")
-- Found Sphinx: /usr/bin/sphinx-build
-- Configuring done (2.1s)
-- Generating done (0.1s)
CMake Warning:
Manually-specified variables were not used by the project:
CMAKE_EXPORT_NO_PACKAGE_REGISTRY
CMAKE_FIND_PACKAGE_NO_PACKAGE_REGISTRY
FETCHCONTENT_FULLY_DISCONNECTED
-- Build files have been written to: /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu
make[1]: Leaving directory '/<<PKGBUILDDIR>>'
debian/rules override_dh_auto_build
make[1]: Entering directory '/<<PKGBUILDDIR>>'
dh_auto_build -- VERBOSE=1
cd obj-x86_64-linux-gnu && make -j4 "INSTALL=install --strip-program=true" VERBOSE=1 VERBOSE=1
make[2]: Entering directory '/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu'
/usr/bin/cmake -S/<<PKGBUILDDIR>> -B/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0
/usr/bin/cmake -E cmake_progress_start /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CMakeFiles /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu//CMakeFiles/progress.marks
make -f CMakeFiles/Makefile2 all
make[3]: Entering directory '/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu'
make -f CheMPS2/CMakeFiles/chemps2-base.dir/build.make CheMPS2/CMakeFiles/chemps2-base.dir/depend
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu'
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<PKGBUILDDIR>> /<<PKGBUILDDIR>>/CheMPS2 /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-base.dir/DependInfo.cmake "--color="
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu'
make -f CheMPS2/CMakeFiles/chemps2-base.dir/build.make CheMPS2/CMakeFiles/chemps2-base.dir/build
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu'
[ 2%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o
[ 2%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCF.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/CASSCF.cpp.o -MF CMakeFiles/chemps2-base.dir/CASSCF.cpp.o.d -o CMakeFiles/chemps2-base.dir/CASSCF.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/CASSCF.cpp
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o -MF CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o.d -o CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/CASSCFdebug.cpp
[ 3%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASPT2.cpp.o
[ 4%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/CASPT2.cpp.o -MF CMakeFiles/chemps2-base.dir/CASPT2.cpp.o.d -o CMakeFiles/chemps2-base.dir/CASPT2.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/CASPT2.cpp
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o -MF CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o.d -o CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/CASSCFnewtonraphson.cpp
[ 5%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o -MF CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o.d -o CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/CASSCFpt2.cpp
[ 6%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o -MF CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o.d -o CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/ConjugateGradient.cpp
[ 7%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o -MF CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o.d -o CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/ConvergenceScheme.cpp
[ 8%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Correlations.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Correlations.cpp.o -MF CMakeFiles/chemps2-base.dir/Correlations.cpp.o.d -o CMakeFiles/chemps2-base.dir/Correlations.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/Correlations.cpp
[ 9%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Cumulant.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Cumulant.cpp.o -MF CMakeFiles/chemps2-base.dir/Cumulant.cpp.o.d -o CMakeFiles/chemps2-base.dir/Cumulant.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/Cumulant.cpp
[ 10%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Davidson.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Davidson.cpp.o -MF CMakeFiles/chemps2-base.dir/Davidson.cpp.o.d -o CMakeFiles/chemps2-base.dir/Davidson.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/Davidson.cpp
[ 11%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DIIS.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DIIS.cpp.o -MF CMakeFiles/chemps2-base.dir/DIIS.cpp.o.d -o CMakeFiles/chemps2-base.dir/DIIS.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/DIIS.cpp
[ 13%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRG.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRG.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRG.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRG.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/DMRG.cpp
[ 14%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/DMRGfock.cpp
[ 15%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/DMRGmpsio.cpp
[ 16%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/DMRGoperators.cpp
[ 17%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGoperators3RDM.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGoperators3RDM.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGoperators3RDM.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGoperators3RDM.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/DMRGoperators3RDM.cpp
[ 18%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFindices.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFindices.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGSCFindices.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGSCFindices.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/DMRGSCFindices.cpp
[ 19%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFintegrals.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFintegrals.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGSCFintegrals.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGSCFintegrals.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/DMRGSCFintegrals.cpp
[ 20%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/DMRGSCFmatrix.cpp
[ 21%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/DMRGSCFoptions.cpp
[ 22%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/DMRGSCFrotations.cpp
[ 23%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/DMRGSCFunitary.cpp
[ 25%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/DMRGSCFwtilde.cpp
[ 26%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o -MF CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o.d -o CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/DMRGtechnics.cpp
[ 27%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o -MF CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o.d -o CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/EdmistonRuedenberg.cpp
[ 28%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Excitation.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Excitation.cpp.o -MF CMakeFiles/chemps2-base.dir/Excitation.cpp.o.d -o CMakeFiles/chemps2-base.dir/Excitation.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/Excitation.cpp
[ 29%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/FCI.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/FCI.cpp.o -MF CMakeFiles/chemps2-base.dir/FCI.cpp.o.d -o CMakeFiles/chemps2-base.dir/FCI.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/FCI.cpp
[ 30%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/FourIndex.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/FourIndex.cpp.o -MF CMakeFiles/chemps2-base.dir/FourIndex.cpp.o.d -o CMakeFiles/chemps2-base.dir/FourIndex.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/FourIndex.cpp
[ 31%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o -MF CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o.d -o CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/Hamiltonian.cpp
[ 32%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Heff.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Heff.cpp.o -MF CMakeFiles/chemps2-base.dir/Heff.cpp.o.d -o CMakeFiles/chemps2-base.dir/Heff.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/Heff.cpp
[ 33%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o -MF CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o.d -o CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/HeffDiagonal.cpp
[ 34%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o -MF CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o.d -o CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/HeffDiagrams1.cpp
[ 35%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o -MF CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o.d -o CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/HeffDiagrams2.cpp
[ 36%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o -MF CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o.d -o CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/HeffDiagrams3.cpp
[ 38%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o -MF CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o.d -o CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/HeffDiagrams4.cpp
[ 39%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o -MF CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o.d -o CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/HeffDiagrams5.cpp
[ 40%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Initialize.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Initialize.cpp.o -MF CMakeFiles/chemps2-base.dir/Initialize.cpp.o.d -o CMakeFiles/chemps2-base.dir/Initialize.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/Initialize.cpp
[ 41%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Irreps.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Irreps.cpp.o -MF CMakeFiles/chemps2-base.dir/Irreps.cpp.o.d -o CMakeFiles/chemps2-base.dir/Irreps.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/Irreps.cpp
[ 42%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Molden.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Molden.cpp.o -MF CMakeFiles/chemps2-base.dir/Molden.cpp.o.d -o CMakeFiles/chemps2-base.dir/Molden.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/Molden.cpp
[ 43%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o -MF CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o.d -o CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/PrintLicense.cpp
[ 44%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Problem.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Problem.cpp.o -MF CMakeFiles/chemps2-base.dir/Problem.cpp.o.d -o CMakeFiles/chemps2-base.dir/Problem.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/Problem.cpp
[ 45%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Sobject.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Sobject.cpp.o -MF CMakeFiles/chemps2-base.dir/Sobject.cpp.o.d -o CMakeFiles/chemps2-base.dir/Sobject.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/Sobject.cpp
[ 46%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/SyBookkeeper.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/SyBookkeeper.cpp.o -MF CMakeFiles/chemps2-base.dir/SyBookkeeper.cpp.o.d -o CMakeFiles/chemps2-base.dir/SyBookkeeper.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/SyBookkeeper.cpp
[ 47%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Tensor3RDM.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Tensor3RDM.cpp.o -MF CMakeFiles/chemps2-base.dir/Tensor3RDM.cpp.o.d -o CMakeFiles/chemps2-base.dir/Tensor3RDM.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/Tensor3RDM.cpp
[ 48%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorF0.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TensorF0.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorF0.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorF0.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/TensorF0.cpp
[ 50%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorF1.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TensorF1.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorF1.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorF1.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/TensorF1.cpp
[ 51%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorGYZ.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TensorGYZ.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorGYZ.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorGYZ.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/TensorGYZ.cpp
[ 52%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorKM.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TensorKM.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorKM.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorKM.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/TensorKM.cpp
[ 53%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorL.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TensorL.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorL.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorL.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/TensorL.cpp
[ 54%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorO.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TensorO.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorO.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorO.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/TensorO.cpp
[ 55%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorOperator.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TensorOperator.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorOperator.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorOperator.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/TensorOperator.cpp
[ 56%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorQ.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TensorQ.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorQ.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorQ.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/TensorQ.cpp
[ 57%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorS0.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TensorS0.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorS0.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorS0.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/TensorS0.cpp
[ 58%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorS1.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TensorS1.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorS1.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorS1.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/TensorS1.cpp
[ 59%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorT.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TensorT.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorT.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorT.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/TensorT.cpp
[ 60%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TensorX.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TensorX.cpp.o -MF CMakeFiles/chemps2-base.dir/TensorX.cpp.o.d -o CMakeFiles/chemps2-base.dir/TensorX.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/TensorX.cpp
[ 61%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o -MF CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o.d -o CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/ThreeDM.cpp
[ 63%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TwoDM.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TwoDM.cpp.o -MF CMakeFiles/chemps2-base.dir/TwoDM.cpp.o.d -o CMakeFiles/chemps2-base.dir/TwoDM.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/TwoDM.cpp
[ 64%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o -MF CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o.d -o CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/TwoIndex.cpp
[ 65%] Building CXX object CheMPS2/CMakeFiles/chemps2-base.dir/Wigner.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -I/usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -fPIC -MD -MT CheMPS2/CMakeFiles/chemps2-base.dir/Wigner.cpp.o -MF CMakeFiles/chemps2-base.dir/Wigner.cpp.o.d -o CMakeFiles/chemps2-base.dir/Wigner.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/Wigner.cpp
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu'
[ 65%] Built target chemps2-base
make -f CheMPS2/CMakeFiles/chemps2-shared.dir/build.make CheMPS2/CMakeFiles/chemps2-shared.dir/depend
make -f CheMPS2/CMakeFiles/chemps2-static.dir/build.make CheMPS2/CMakeFiles/chemps2-static.dir/depend
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu'
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<PKGBUILDDIR>> /<<PKGBUILDDIR>>/CheMPS2 /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-shared.dir/DependInfo.cmake "--color="
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu'
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<PKGBUILDDIR>> /<<PKGBUILDDIR>>/CheMPS2 /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-static.dir/DependInfo.cmake "--color="
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu'
make -f CheMPS2/CMakeFiles/chemps2-static.dir/build.make CheMPS2/CMakeFiles/chemps2-static.dir/build
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu'
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu'
make -f CheMPS2/CMakeFiles/chemps2-shared.dir/build.make CheMPS2/CMakeFiles/chemps2-shared.dir/build
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu'
[ 66%] Linking CXX static library libchemps2.a
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/cmake -P CMakeFiles/chemps2-static.dir/cmake_clean_target.cmake
[ 67%] Linking CXX shared library libchemps2.so
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemps2-shared.dir/link.txt --verbose=1
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemps2-static.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libchemps2.so.3 -o libchemps2.so.3 "CMakeFiles/chemps2-base.dir/CASPT2.cpp.o" "CMakeFiles/chemps2-base.dir/CASSCF.cpp.o" "CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o" "CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o" "CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o" "CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o" "CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o" "CMakeFiles/chemps2-base.dir/Correlations.cpp.o" "CMakeFiles/chemps2-base.dir/Cumulant.cpp.o" "CMakeFiles/chemps2-base.dir/Davidson.cpp.o" "CMakeFiles/chemps2-base.dir/DIIS.cpp.o" "CMakeFiles/chemps2-base.dir/DMRG.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGoperators3RDM.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFindices.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFintegrals.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o" "CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o" "CMakeFiles/chemps2-base.dir/Excitation.cpp.o" "CMakeFiles/chemps2-base.dir/FCI.cpp.o" "CMakeFiles/chemps2-base.dir/FourIndex.cpp.o" "CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o" "CMakeFiles/chemps2-base.dir/Heff.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o" "CMakeFiles/chemps2-base.dir/Initialize.cpp.o" "CMakeFiles/chemps2-base.dir/Irreps.cpp.o" "CMakeFiles/chemps2-base.dir/Molden.cpp.o" "CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o" "CMakeFiles/chemps2-base.dir/Problem.cpp.o" "CMakeFiles/chemps2-base.dir/Sobject.cpp.o" "CMakeFiles/chemps2-base.dir/SyBookkeeper.cpp.o" "CMakeFiles/chemps2-base.dir/Tensor3RDM.cpp.o" "CMakeFiles/chemps2-base.dir/TensorF0.cpp.o" "CMakeFiles/chemps2-base.dir/TensorF1.cpp.o" "CMakeFiles/chemps2-base.dir/TensorGYZ.cpp.o" "CMakeFiles/chemps2-base.dir/TensorKM.cpp.o" "CMakeFiles/chemps2-base.dir/TensorL.cpp.o" "CMakeFiles/chemps2-base.dir/TensorO.cpp.o" "CMakeFiles/chemps2-base.dir/TensorOperator.cpp.o" "CMakeFiles/chemps2-base.dir/TensorQ.cpp.o" "CMakeFiles/chemps2-base.dir/TensorS0.cpp.o" "CMakeFiles/chemps2-base.dir/TensorS1.cpp.o" "CMakeFiles/chemps2-base.dir/TensorT.cpp.o" "CMakeFiles/chemps2-base.dir/TensorX.cpp.o" "CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o" "CMakeFiles/chemps2-base.dir/TwoDM.cpp.o" "CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o" "CMakeFiles/chemps2-base.dir/Wigner.cpp.o" -Wl,-rpath,/usr/lib/x86_64-linux-gnu/hdf5/serial: -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm
/usr/bin/ar qc libchemps2.a "CMakeFiles/chemps2-base.dir/CASPT2.cpp.o" "CMakeFiles/chemps2-base.dir/CASSCF.cpp.o" "CMakeFiles/chemps2-base.dir/CASSCFdebug.cpp.o" "CMakeFiles/chemps2-base.dir/CASSCFnewtonraphson.cpp.o" "CMakeFiles/chemps2-base.dir/CASSCFpt2.cpp.o" "CMakeFiles/chemps2-base.dir/ConjugateGradient.cpp.o" "CMakeFiles/chemps2-base.dir/ConvergenceScheme.cpp.o" "CMakeFiles/chemps2-base.dir/Correlations.cpp.o" "CMakeFiles/chemps2-base.dir/Cumulant.cpp.o" "CMakeFiles/chemps2-base.dir/Davidson.cpp.o" "CMakeFiles/chemps2-base.dir/DIIS.cpp.o" "CMakeFiles/chemps2-base.dir/DMRG.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGfock.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGmpsio.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGoperators.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGoperators3RDM.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFindices.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFintegrals.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFmatrix.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFoptions.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFrotations.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFunitary.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGSCFwtilde.cpp.o" "CMakeFiles/chemps2-base.dir/DMRGtechnics.cpp.o" "CMakeFiles/chemps2-base.dir/EdmistonRuedenberg.cpp.o" "CMakeFiles/chemps2-base.dir/Excitation.cpp.o" "CMakeFiles/chemps2-base.dir/FCI.cpp.o" "CMakeFiles/chemps2-base.dir/FourIndex.cpp.o" "CMakeFiles/chemps2-base.dir/Hamiltonian.cpp.o" "CMakeFiles/chemps2-base.dir/Heff.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagonal.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams1.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams2.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams3.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams4.cpp.o" "CMakeFiles/chemps2-base.dir/HeffDiagrams5.cpp.o" "CMakeFiles/chemps2-base.dir/Initialize.cpp.o" "CMakeFiles/chemps2-base.dir/Irreps.cpp.o" "CMakeFiles/chemps2-base.dir/Molden.cpp.o" "CMakeFiles/chemps2-base.dir/PrintLicense.cpp.o" "CMakeFiles/chemps2-base.dir/Problem.cpp.o" "CMakeFiles/chemps2-base.dir/Sobject.cpp.o" "CMakeFiles/chemps2-base.dir/SyBookkeeper.cpp.o" "CMakeFiles/chemps2-base.dir/Tensor3RDM.cpp.o" "CMakeFiles/chemps2-base.dir/TensorF0.cpp.o" "CMakeFiles/chemps2-base.dir/TensorF1.cpp.o" "CMakeFiles/chemps2-base.dir/TensorGYZ.cpp.o" "CMakeFiles/chemps2-base.dir/TensorKM.cpp.o" "CMakeFiles/chemps2-base.dir/TensorL.cpp.o" "CMakeFiles/chemps2-base.dir/TensorO.cpp.o" "CMakeFiles/chemps2-base.dir/TensorOperator.cpp.o" "CMakeFiles/chemps2-base.dir/TensorQ.cpp.o" "CMakeFiles/chemps2-base.dir/TensorS0.cpp.o" "CMakeFiles/chemps2-base.dir/TensorS1.cpp.o" "CMakeFiles/chemps2-base.dir/TensorT.cpp.o" "CMakeFiles/chemps2-base.dir/TensorX.cpp.o" "CMakeFiles/chemps2-base.dir/ThreeDM.cpp.o" "CMakeFiles/chemps2-base.dir/TwoDM.cpp.o" "CMakeFiles/chemps2-base.dir/TwoIndex.cpp.o" "CMakeFiles/chemps2-base.dir/Wigner.cpp.o"
/usr/bin/ranlib libchemps2.a
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu'
[ 67%] Built target chemps2-static
lto-wrapper: warning: using serial compilation of 23 LTRANS jobs
lto-wrapper: note: see the ‘-flto’ option documentation for more information
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/cmake -E cmake_symlink_library libchemps2.so.3 libchemps2.so.3 libchemps2.so
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu'
[ 67%] Built target chemps2-shared
make -f CheMPS2/CMakeFiles/chemps2-bin.dir/build.make CheMPS2/CMakeFiles/chemps2-bin.dir/depend
make -f tests/CMakeFiles/test1.dir/build.make tests/CMakeFiles/test1.dir/depend
make -f tests/CMakeFiles/test2.dir/build.make tests/CMakeFiles/test2.dir/depend
make -f tests/CMakeFiles/test3.dir/build.make tests/CMakeFiles/test3.dir/depend
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu'
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<PKGBUILDDIR>> /<<PKGBUILDDIR>>/tests /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/tests /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/tests/CMakeFiles/test1.dir/DependInfo.cmake "--color="
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu'
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<PKGBUILDDIR>> /<<PKGBUILDDIR>>/CheMPS2 /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2/CMakeFiles/chemps2-bin.dir/DependInfo.cmake "--color="
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu'
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<PKGBUILDDIR>> /<<PKGBUILDDIR>>/tests /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/tests /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/tests/CMakeFiles/test2.dir/DependInfo.cmake "--color="
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu'
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<PKGBUILDDIR>> /<<PKGBUILDDIR>>/tests /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/tests /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/tests/CMakeFiles/test3.dir/DependInfo.cmake "--color="
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu'
make -f tests/CMakeFiles/test1.dir/build.make tests/CMakeFiles/test1.dir/build
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu'
[ 68%] Building CXX object tests/CMakeFiles/test1.dir/tests/test1.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test1.dir/tests/test1.cpp.o -MF CMakeFiles/test1.dir/tests/test1.cpp.o.d -o CMakeFiles/test1.dir/tests/test1.cpp.o -c /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/tests/tests/test1.cpp
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu'
make -f tests/CMakeFiles/test3.dir/build.make tests/CMakeFiles/test3.dir/build
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu'
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu'
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu'
make -f CheMPS2/CMakeFiles/chemps2-bin.dir/build.make CheMPS2/CMakeFiles/chemps2-bin.dir/build
make -f tests/CMakeFiles/test2.dir/build.make tests/CMakeFiles/test2.dir/build
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu'
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu'
[ 69%] Building CXX object tests/CMakeFiles/test3.dir/tests/test3.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test3.dir/tests/test3.cpp.o -MF CMakeFiles/test3.dir/tests/test3.cpp.o.d -o CMakeFiles/test3.dir/tests/test3.cpp.o -c /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/tests/tests/test3.cpp
[ 71%] Building CXX object tests/CMakeFiles/test2.dir/tests/test2.cpp.o
[ 71%] Building CXX object CheMPS2/CMakeFiles/chemps2-bin.dir/executable.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test2.dir/tests/test2.cpp.o -MF CMakeFiles/test2.dir/tests/test2.cpp.o.d -o CMakeFiles/test2.dir/tests/test2.cpp.o -c /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/tests/tests/test2.cpp
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT CheMPS2/CMakeFiles/chemps2-bin.dir/executable.cpp.o -MF CMakeFiles/chemps2-bin.dir/executable.cpp.o.d -o CMakeFiles/chemps2-bin.dir/executable.cpp.o -c /<<PKGBUILDDIR>>/CheMPS2/executable.cpp
[ 72%] Linking CXX executable test1
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test1.dir/link.txt --verbose=1
/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test1.dir/tests/test1.cpp.o -o test1 -Wl,-rpath,/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm
[ 73%] Linking CXX executable test3
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test3.dir/link.txt --verbose=1
/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test3.dir/tests/test3.cpp.o -o test3 -Wl,-rpath,/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm
[ 75%] Linking CXX executable test2
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/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test2.dir/tests/test2.cpp.o -o test2 -Wl,-rpath,/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm
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make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu'
[ 75%] Built target test3
make -f tests/CMakeFiles/test4.dir/build.make tests/CMakeFiles/test4.dir/depend
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu'
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<PKGBUILDDIR>> /<<PKGBUILDDIR>>/tests /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/tests /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/tests/CMakeFiles/test4.dir/DependInfo.cmake "--color="
[ 75%] Built target test1
make -f tests/CMakeFiles/test5.dir/build.make tests/CMakeFiles/test5.dir/depend
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu'
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<PKGBUILDDIR>> /<<PKGBUILDDIR>>/tests /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/tests /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/tests/CMakeFiles/test5.dir/DependInfo.cmake "--color="
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu'
make -f tests/CMakeFiles/test4.dir/build.make tests/CMakeFiles/test4.dir/build
[ 76%] Linking CXX executable chemps2
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu'
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2 && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemps2-bin.dir/link.txt --verbose=1
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu'
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu'
make -f tests/CMakeFiles/test5.dir/build.make tests/CMakeFiles/test5.dir/build
/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic "CMakeFiles/chemps2-bin.dir/executable.cpp.o" -o chemps2 -Wl,-rpath,/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial: libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm
[ 77%] Building CXX object tests/CMakeFiles/test4.dir/tests/test4.cpp.o
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu'
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test4.dir/tests/test4.cpp.o -MF CMakeFiles/test4.dir/tests/test4.cpp.o.d -o CMakeFiles/test4.dir/tests/test4.cpp.o -c /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/tests/tests/test4.cpp
[ 77%] Built target test2
make -f tests/CMakeFiles/test6.dir/build.make tests/CMakeFiles/test6.dir/depend
[ 78%] Building CXX object tests/CMakeFiles/test5.dir/tests/test5.cpp.o
make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu'
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<PKGBUILDDIR>> /<<PKGBUILDDIR>>/tests /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/tests /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/tests/CMakeFiles/test6.dir/DependInfo.cmake "--color="
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test5.dir/tests/test5.cpp.o -MF CMakeFiles/test5.dir/tests/test5.cpp.o.d -o CMakeFiles/test5.dir/tests/test5.cpp.o -c /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/tests/tests/test5.cpp
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[ 79%] Building CXX object tests/CMakeFiles/test6.dir/tests/test6.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test6.dir/tests/test6.cpp.o -MF CMakeFiles/test6.dir/tests/test6.cpp.o.d -o CMakeFiles/test6.dir/tests/test6.cpp.o -c /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/tests/tests/test6.cpp
[ 80%] Linking CXX executable test4
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/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test4.dir/tests/test4.cpp.o -o test4 -Wl,-rpath,/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm
[ 81%] Linking CXX executable test5
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[ 82%] Linking CXX executable test6
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/test6.dir/link.txt --verbose=1
/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test5.dir/tests/test5.cpp.o -o test5 -Wl,-rpath,/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm
/usr/bin/c++ -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -rdynamic CMakeFiles/test6.dir/tests/test6.cpp.o -o test6 -Wl,-rpath,/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial ../CheMPS2/libchemps2.so.3 -llapack -lblas /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so -lcrypto -lcurl -Wl,-Bstatic -lpthread -Wl,-Bdynamic -lsz -lz -Wl,-Bstatic -ldl -Wl,-Bdynamic -lm
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu'
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cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<PKGBUILDDIR>> /<<PKGBUILDDIR>>/tests /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/tests /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/tests/CMakeFiles/test7.dir/DependInfo.cmake "--color="
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make[4]: Entering directory '/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu'
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<PKGBUILDDIR>> /<<PKGBUILDDIR>>/tests /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/tests /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/tests/CMakeFiles/test8.dir/DependInfo.cmake "--color="
[ 83%] Building CXX object tests/CMakeFiles/test7.dir/tests/test7.cpp.o
cd /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/tests && /usr/bin/c++ -DCHEMPS2_VERSION="\"1.8.12 (2022-03-09)\"" -DH5_USE_110_API -DUSING_CheMPS2 -I/<<PKGBUILDDIR>>/CheMPS2/include/chemps2 -isystem /usr/include/hdf5/serial -flto -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -O3 -DNDEBUG -MD -MT tests/CMakeFiles/test7.dir/tests/test7.cpp.o -MF CMakeFiles/test7.dir/tests/test7.cpp.o.d -o CMakeFiles/test7.dir/tests/test7.cpp.o -c /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu/tests/tests/test7.cpp
make[4]: Leaving directory '/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu'
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cd PyCheMPS2 && CPATH=../CheMPS2/include:/usr/include/hdf5/serial python3 setup.py build_ext -L ../obj-x86_64-linux-gnu/CheMPS2
/usr/lib/python3/dist-packages/Cython/Compiler/Main.py:369: FutureWarning: Cython directive 'language_level' not set, using 2 for now (Py2). This will change in a later release! File: /<<PKGBUILDDIR>>/PyCheMPS2/PyCheMPS2.pyx
tree = Parsing.p_module(s, pxd, full_module_name)
In file included from /usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include/numpy/ndarraytypes.h:1909,
from /usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include/numpy/ndarrayobject.h:12,
from /usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include/numpy/arrayobject.h:5,
from PyCheMPS2.cpp:769:
/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include/numpy/npy_1_7_deprecated_api.h:17:2: warning: #warning "Using deprecated NumPy API, disable it with " "#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp]
17 | #warning "Using deprecated NumPy API, disable it with " \
| ^~~~~~~
make[1]: Leaving directory '/<<PKGBUILDDIR>>'
debian/rules execute_after_dh_auto_build-indep
make[1]: Entering directory '/<<PKGBUILDDIR>>'
# https://wiki.debian.org/Python/LibraryStyleGuide: info on sphinx-build
PYTHONPATH=. http_proxy='127.0.0.1:9' sphinx-build -N -b html \
-c obj-x86_64-linux-gnu/sphinx/ \
-D html_theme=default \
-D mathjax_path="/usr/share/javascript/mathjax/MathJax.js" sphinx/ build-sphinx/html
Running Sphinx v7.4.7
WARNING: Invalid configuration value found: 'language = None'. Update your configuration to a valid language code. Falling back to 'en' (English).
loading translations [en]... done
making output directory... done
Converting `source_suffix = '.rst'` to `source_suffix = {'.rst': 'restructuredtext'}`.
building [mo]: targets for 0 po files that are out of date
writing output...
building [html]: targets for 13 source files that are out of date
updating environment: [new config] 13 added, 0 changed, 0 removed
reading sources... [ 8%] caspt2
reading sources... [ 15%] dmrgscf
reading sources... [ 23%] dmrgscfcalcs
reading sources... [ 31%] handson
reading sources... [ 38%] index
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reading sources... [ 92%] sourcecode
reading sources... [100%] symmetry
looking for now-outdated files... none found
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copying assets: done
writing output... [ 8%] caspt2
writing output... [ 15%] dmrgscf
writing output... [ 23%] dmrgscfcalcs
writing output... [ 31%] handson
writing output... [ 38%] index
writing output... [ 46%] inoutput
writing output... [ 54%] interfaces
writing output... [ 62%] matrixelements
writing output... [ 69%] method
writing output... [ 77%] publications
writing output... [ 85%] resources
writing output... [ 92%] sourcecode
writing output... [100%] symmetry
generating indices... genindex done
highlighting module code...
writing additional pages... search done
copying images... [ 12%] handson_orbitals.png
copying images... [ 25%] handson_comparison.png
copying images... [ 38%] ExtrapolationN2reorder.png
copying images... [ 50%] Comparison.png
copying images... [ 62%] ComparisonN2.png
copying images... [ 75%] polyene_scaling.png
copying images... [ 88%] single_node_h2o.png
copying images... [100%] multi_node_h2o.png
dumping search index in English (code: en)... done
dumping object inventory... done
build succeeded, 1 warning.
The HTML pages are in build-sphinx/html.
# I know it's ugly, but sphinx splits strings at equality signs: http://svn.python.org/projects/doctools/trunk/sphinx/cmdline.py
cd build-sphinx/html && sed -i "s/MathJax.js/MathJax.js?config=TeX-AMS-MML_HTMLorMML/" *.html
# Solving the complaints from lintian about jquery.js & underscore.js
cd build-sphinx/html && sed -i "s/_static\/jquery.js/\/usr\/share\/javascript\/jquery\/jquery.js/" *.html
cd build-sphinx/html && sed -i "s/_static\/underscore.js/\/usr\/share\/javascript\/underscore\/underscore.js/" *.html
cd build-sphinx/html/_static && rm -f jquery*.js underscore*.js
make[1]: Leaving directory '/<<PKGBUILDDIR>>'
debian/rules override_dh_auto_test
make[1]: Entering directory '/<<PKGBUILDDIR>>'
cd obj-x86_64-linux-gnu/ && ctest -R "^test3|^test5|^test8"
Test project /<<PKGBUILDDIR>>/obj-x86_64-linux-gnu
Start 3: test3
1/3 Test #3: test3 ............................ Passed 0.43 sec
Start 5: test5
2/3 Test #5: test5 ............................ Passed 0.86 sec
Start 8: test8
3/3 Test #8: test8 ............................ Passed 0.72 sec
100% tests passed, 0 tests failed out of 3
Total Test time (real) = 2.01 sec
cd PyCheMPS2/tests && PYTHONPATH=../.././PyCheMPS2/build/lib.linux-x86_64-cpython-312:.. \
LD_LIBRARY_PATH=../../obj-x86_64-linux-gnu/CheMPS2:/usr/lib/x86_64-linux-gnu/hdf5/serial \
python3 test1.py
CheMPS2::Hamiltonian : Reading FCIDUMP file ../../tests/matrixelements/N2.STO3G.FCIDUMP
CheMPS2::Hamiltonian : Finished reading FCIDUMP file ../../tests/matrixelements/N2.STO3G.FCIDUMP
CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
Copyright (C) 2013-2021 Sebastian Wouters
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
Stats: nIt(DAVIDSON) = 9
Energy at sites (8, 9) is -100.662132979078
Stats: nIt(DAVIDSON) = 12
Energy at sites (7, 8) is -106.851716600727
Stats: nIt(DAVIDSON) = 60
Energy at sites (6, 7) is -106.892628348088
Stats: nIt(DAVIDSON) = 60
Energy at sites (5, 6) is -106.905987783833
Stats: nIt(DAVIDSON) = 43
Energy at sites (4, 5) is -107.631639322448
Stats: nIt(DAVIDSON) = 29
Energy at sites (3, 4) is -107.648034710641
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.648034710641
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.648034710641
******************************************************************
*** Information on left sweep 0 of instruction 0:
*** Elapsed wall time = 0.205017 seconds
*** |--> S.join = 0.000288 seconds
*** |--> S.solve = 0.185892 seconds
*** |--> S.split = 0.000857 seconds
*** |--> Tensor update = 0.017798 seconds
*** |--> create = 0.007831 seconds
*** |--> destroy = 0.000957 seconds
*** |--> disk write = 0.004232 seconds
*** |--> disk read = 0.002665 seconds
*** |--> calc = 0.002101 seconds
*** Disk write bandwidth = 138.459449003685 MB/s
*** Disk read bandwidth = 220.61689709633 MB/s
*** Minimum energy = -107.648034710641
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.648034710641
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.648034710641
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.648034710641
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.648034710641
Stats: nIt(DAVIDSON) = 9
Energy at sites (4, 5) is -107.648058745285
Stats: nIt(DAVIDSON) = 8
Energy at sites (5, 6) is -107.648250586268
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.648250586268
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.648250586268
******************************************************************
*** Information on right sweep 0 of instruction 0:
*** Elapsed wall time = 0.039166 seconds
*** |--> S.join = 0.000279 seconds
*** |--> S.solve = 0.020844 seconds
*** |--> S.split = 0.000673 seconds
*** |--> Tensor update = 0.01721 seconds
*** |--> create = 0.007775 seconds
*** |--> destroy = 0.000938 seconds
*** |--> disk write = 0.003799 seconds
*** |--> disk read = 0.002661 seconds
*** |--> calc = 0.002024 seconds
*** Disk write bandwidth = 154.762840421616 MB/s
*** Disk read bandwidth = 220.203077107702 MB/s
*** Minimum energy = -107.648250586268
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 107.648250586268
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.648250586268
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.648250586268
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.648250586267
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.648250586268
Stats: nIt(DAVIDSON) = 7
Energy at sites (4, 5) is -107.648250880072
Stats: nIt(DAVIDSON) = 4
Energy at sites (3, 4) is -107.648250972556
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.648250972556
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.648250972556
******************************************************************
*** Information on left sweep 1 of instruction 0:
*** Elapsed wall time = 0.030158 seconds
*** |--> S.join = 0.000279 seconds
*** |--> S.solve = 0.011926 seconds
*** |--> S.split = 0.000681 seconds
*** |--> Tensor update = 0.017121 seconds
*** |--> create = 0.007761 seconds
*** |--> destroy = 0.000978 seconds
*** |--> disk write = 0.003634 seconds
*** |--> disk read = 0.002667 seconds
*** |--> calc = 0.002072 seconds
*** Disk write bandwidth = 161.24391529543 MB/s
*** Disk read bandwidth = 220.451455103757 MB/s
*** Minimum energy = -107.648250972556
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.648250972556
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.648250972556
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.648250972556
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.648250972556
Stats: nIt(DAVIDSON) = 2
Energy at sites (4, 5) is -107.648250972634
Stats: nIt(DAVIDSON) = 3
Energy at sites (5, 6) is -107.648250973998
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.648250973998
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.648250973998
******************************************************************
*** Information on right sweep 1 of instruction 0:
*** Elapsed wall time = 0.027113 seconds
*** |--> S.join = 0.000276 seconds
*** |--> S.solve = 0.008755 seconds
*** |--> S.split = 0.000663 seconds
*** |--> Tensor update = 0.017268 seconds
*** |--> create = 0.007776 seconds
*** |--> destroy = 0.001012 seconds
*** |--> disk write = 0.003724 seconds
*** |--> disk read = 0.00269 seconds
*** |--> calc = 0.002058 seconds
*** Disk write bandwidth = 157.879707508517 MB/s
*** Disk read bandwidth = 217.829140588697 MB/s
*** Minimum energy = -107.648250973998
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 3.877305516653e-07
******************************************************************
*** Information on completed instruction 0:
*** The reduced virtual dimension DSU(2) = 500
*** The total number of reduced MPS variables = 1685
*** Minimum energy encountered during all instructions = -107.648250973998
*** Minimum energy encountered during the last sweep = -107.648250973998
*** Maximum discarded weight during the last sweep = 0
******************************************************************
Stats: nIt(DAVIDSON) = 6
Energy at sites (8, 9) is -107.648250973999
Stats: nIt(DAVIDSON) = 8
Energy at sites (7, 8) is -107.648250973999
Stats: nIt(DAVIDSON) = 10
Energy at sites (6, 7) is -107.648250974001
Stats: nIt(DAVIDSON) = 8
Energy at sites (5, 6) is -107.648250974001
Stats: nIt(DAVIDSON) = 12
Energy at sites (4, 5) is -107.648250974005
Stats: nIt(DAVIDSON) = 12
Energy at sites (3, 4) is -107.648250974014
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.648250974014
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.648250974014
******************************************************************
*** Information on left sweep 0 of instruction 1:
*** Elapsed wall time = 0.057512 seconds
*** |--> S.join = 0.000288 seconds
*** |--> S.solve = 0.039062 seconds
*** |--> S.split = 0.000731 seconds
*** |--> Tensor update = 0.017273 seconds
*** |--> create = 0.007861 seconds
*** |--> destroy = 0.000992 seconds
*** |--> disk write = 0.003663 seconds
*** |--> disk read = 0.002659 seconds
*** |--> calc = 0.002091 seconds
*** Disk write bandwidth = 159.967345941467 MB/s
*** Disk read bandwidth = 221.114716345137 MB/s
*** Minimum energy = -107.648250974014
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.648250974014
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.648250974014
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.648250974014
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.648250974014
Stats: nIt(DAVIDSON) = 9
Energy at sites (4, 5) is -107.648250974013
Stats: nIt(DAVIDSON) = 8
Energy at sites (5, 6) is -107.648250974014
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.648250974014
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.648250974013
******************************************************************
*** Information on right sweep 0 of instruction 1:
*** Elapsed wall time = 0.0396000000000001 seconds
*** |--> S.join = 0.000312 seconds
*** |--> S.solve = 0.021196 seconds
*** |--> S.split = 0.000697 seconds
*** |--> Tensor update = 0.0172440000000001 seconds
*** |--> create = 0.007804 seconds
*** |--> destroy = 0.000997 seconds
*** |--> disk write = 0.00373800000000009 seconds
*** |--> disk read = 0.002628 seconds
*** |--> calc = 0.002066 seconds
*** Disk write bandwidth = 157.288397742564 MB/s
*** Disk read bandwidth = 222.968184240333 MB/s
*** Minimum energy = -107.648250974014
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 1.5262457964127e-11
******************************************************************
*** Information on completed instruction 1:
*** The reduced virtual dimension DSU(2) = 1000
*** The total number of reduced MPS variables = 1685
*** Minimum energy encountered during all instructions = -107.648250974014
*** Minimum energy encountered during the last sweep = -107.648250974014
*** Maximum discarded weight during the last sweep = 0
******************************************************************
********************************************
*** 2-RDM and Correlations calculation ***
********************************************
N(N-1) = 182
Double trace of DMRG 2-RDM = 182
Econst + 0.5 * trace(2DM-A * Ham) = -107.648250974013
NOON of irrep Ag = [ 1.99999530444257 , 1.99487994123965 , 1.98267954074897 ].
NOON of irrep B2g = [ 0.074871552467798 ].
NOON of irrep B3g = [ 0.0748715522087877 ].
NOON of irrep B1u = [ 1.99999681839218 , 1.98658242707029 , 0.0188079712050347 ].
NOON of irrep B2u = [ 1.93365744605968 ].
NOON of irrep B3u = [ 1.93365744616501 ].
Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000131009430670399 , 0.0515866784645129 , 0.0764971079371967 , 0.257716819209943 , 0.257716818816428 , 8.47155301299289e-05 , 0.0462800405647937 , 0.100736303302846 , 0.241506019891531 , 0.241506019603417 ].
Idistance(0) = 1.30939331255081
Idistance(1) = 5.42402999543928
Idistance(2) = 26.7355488076116
***************************************************
*** Timing information 2-RDM and Correlations ***
***************************************************
*** Elapsed wall time = 0.042682 seconds
*** |--> MPS gauge change = 0.000428 seconds
*** |--> Diagram calc = 0.002916 seconds
*** |--> Tensor update = 0.038856 seconds
*** |--> create = 0.017543 seconds
*** |--> destroy = 0.001675 seconds
*** |--> disk write = 0.008287 seconds
*** |--> disk read = 0.006169 seconds
*** |--> calc = 0.005142 seconds
*** Disk write bandwidth = 143.674194733657 MB/s
*** Disk read bandwidth = 193.001791499078 MB/s
***************************************************
FCI::Startup : Number of variables in the FCI vector = 1824
FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.0625 MB memory.
FCI::matvec : Wall time = 0.005387 seconds
FCI::matvec : Wall time = 0.005196 seconds
FCI::matvec : Wall time = 0.005155 seconds
FCI::matvec : Wall time = 0.005068 seconds
FCI::matvec : Wall time = 0.005061 seconds
FCI::matvec : Wall time = 0.005041 seconds
FCI::matvec : Wall time = 0.005042 seconds
FCI::matvec : Wall time = 0.005086 seconds
FCI::matvec : Wall time = 0.005132 seconds
FCI::matvec : Wall time = 0.005066 seconds
FCI::matvec : Wall time = 0.005074 seconds
FCI::matvec : Wall time = 0.0051 seconds
FCI::matvec : Wall time = 0.005083 seconds
FCI::matvec : Wall time = 0.005056 seconds
FCI::matvec : Wall time = 0.005061 seconds
FCI::matvec : Wall time = 0.005102 seconds
FCI::matvec : Wall time = 0.005034 seconds
FCI::matvec : Wall time = 0.005071 seconds
FCI::GSDavidson : Converged ground state energy = -107.648250974013
FCI::CalcSpinSquared : For intended spin 0 the measured S(S+1) = 3.72255668621496e-18 and intended S(S+1) = 0
Info on DMRG::operators rm call to system: 0
CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
Copyright (C) 2013-2021 Sebastian Wouters
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
Stats: nIt(DAVIDSON) = 16
Energy at sites (8, 9) is -102.878117060556
Stats: nIt(DAVIDSON) = 63
Energy at sites (7, 8) is -106.332523155656
Stats: nIt(DAVIDSON) = 30
Energy at sites (6, 7) is -106.372841430697
Stats: nIt(DAVIDSON) = 63
Energy at sites (5, 6) is -107.318378656809
Stats: nIt(DAVIDSON) = 45
Energy at sites (4, 5) is -107.325632233384
Stats: nIt(DAVIDSON) = 25
Energy at sites (3, 4) is -107.328763394567
Stats: nIt(DAVIDSON) = 10
Energy at sites (2, 3) is -107.328765074443
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.328765074443
******************************************************************
*** Information on left sweep 0 of instruction 0:
*** Elapsed wall time = 0.289367 seconds
*** |--> S.join = 0.000356 seconds
*** |--> S.solve = 0.267586 seconds
*** |--> S.split = 0.001245 seconds
*** |--> Tensor update = 0.020089 seconds
*** |--> create = 0.008865 seconds
*** |--> destroy = 0.001007 seconds
*** |--> disk write = 0.004459 seconds
*** |--> disk read = 0.002847 seconds
*** |--> calc = 0.002899 seconds
*** Disk write bandwidth = 189.465293704621 MB/s
*** Disk read bandwidth = 295.469540648599 MB/s
*** Minimum energy = -107.328765074443
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.328765074443
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.328765074443
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.328765074443
Stats: nIt(DAVIDSON) = 5
Energy at sites (3, 4) is -107.32876507648
Stats: nIt(DAVIDSON) = 7
Energy at sites (4, 5) is -107.328767357249
Stats: nIt(DAVIDSON) = 9
Energy at sites (5, 6) is -107.328768890629
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.328768890629
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.328768890629
******************************************************************
*** Information on right sweep 0 of instruction 0:
*** Elapsed wall time = 0.051397 seconds
*** |--> S.join = 0.000498 seconds
*** |--> S.solve = 0.030098 seconds
*** |--> S.split = 0.000977 seconds
*** |--> Tensor update = 0.019755 seconds
*** |--> create = 0.00911 seconds
*** |--> destroy = 0.000988 seconds
*** |--> disk write = 0.004057 seconds
*** |--> disk read = 0.002747 seconds
*** |--> calc = 0.002838 seconds
*** Disk write bandwidth = 207.345768357546 MB/s
*** Disk read bandwidth = 307.544865172518 MB/s
*** Minimum energy = -107.328768890629
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 107.328768890629
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.32876889063
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.328768890629
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.328768890629
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.328768890629
Stats: nIt(DAVIDSON) = 3
Energy at sites (4, 5) is -107.32876889101
Stats: nIt(DAVIDSON) = 4
Energy at sites (3, 4) is -107.328768897986
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.328768897986
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.328768897986
******************************************************************
*** Information on left sweep 1 of instruction 0:
*** Elapsed wall time = 0.032048 seconds
*** |--> S.join = 0.000485 seconds
*** |--> S.solve = 0.011204 seconds
*** |--> S.split = 0.000876 seconds
*** |--> Tensor update = 0.019414 seconds
*** |--> create = 0.008779 seconds
*** |--> destroy = 0.000977 seconds
*** |--> disk write = 0.003978 seconds
*** |--> disk read = 0.002748 seconds
*** |--> calc = 0.002922 seconds
*** Disk write bandwidth = 212.374495884592 MB/s
*** Disk read bandwidth = 306.114185671966 MB/s
*** Minimum energy = -107.328768897986
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.328768897986
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.328768897986
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.328768897986
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.328768897986
Stats: nIt(DAVIDSON) = 2
Energy at sites (4, 5) is -107.328768898017
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.328768898018
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.328768898018
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.328768898017
******************************************************************
*** Information on right sweep 1 of instruction 0:
*** Elapsed wall time = 0.029862 seconds
*** |--> S.join = 0.000478 seconds
*** |--> S.solve = 0.008667 seconds
*** |--> S.split = 0.000834 seconds
*** |--> Tensor update = 0.01981 seconds
*** |--> create = 0.009065 seconds
*** |--> destroy = 0.00101 seconds
*** |--> disk write = 0.004189 seconds
*** |--> disk read = 0.002691 seconds
*** |--> calc = 0.002847 seconds
*** Disk write bandwidth = 200.812075012309 MB/s
*** Disk read bandwidth = 313.944906959831 MB/s
*** Minimum energy = -107.328768898018
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 7.38802441446751e-09
******************************************************************
*** Information on completed instruction 0:
*** The reduced virtual dimension DSU(2) = 500
*** The total number of reduced MPS variables = 2280
*** Minimum energy encountered during all instructions = -107.328768898018
*** Minimum energy encountered during the last sweep = -107.328768898018
*** Maximum discarded weight during the last sweep = 0
******************************************************************
Stats: nIt(DAVIDSON) = 8
Energy at sites (8, 9) is -107.328768898019
Stats: nIt(DAVIDSON) = 10
Energy at sites (7, 8) is -107.328768898025
Stats: nIt(DAVIDSON) = 14
Energy at sites (6, 7) is -107.328768898029
Stats: nIt(DAVIDSON) = 12
Energy at sites (5, 6) is -107.328768898029
Stats: nIt(DAVIDSON) = 12
Energy at sites (4, 5) is -107.328768898029
Stats: nIt(DAVIDSON) = 14
Energy at sites (3, 4) is -107.328768898029
Stats: nIt(DAVIDSON) = 10
Energy at sites (2, 3) is -107.328768898033
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.328768898033
******************************************************************
*** Information on left sweep 0 of instruction 1:
*** Elapsed wall time = 0.097379 seconds
*** |--> S.join = 0.000551 seconds
*** |--> S.solve = 0.076092 seconds
*** |--> S.split = 0.000993 seconds
*** |--> Tensor update = 0.019667 seconds
*** |--> create = 0.008797 seconds
*** |--> destroy = 0.000996 seconds
*** |--> disk write = 0.004222 seconds
*** |--> disk read = 0.002741 seconds
*** |--> calc = 0.002901 seconds
*** Disk write bandwidth = 200.10083956156 MB/s
*** Disk read bandwidth = 306.895943898782 MB/s
*** Minimum energy = -107.328768898033
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.328768898033
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.328768898033
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.328768898033
Stats: nIt(DAVIDSON) = 10
Energy at sites (3, 4) is -107.328768898033
Stats: nIt(DAVIDSON) = 9
Energy at sites (4, 5) is -107.328768898033
Stats: nIt(DAVIDSON) = 9
Energy at sites (5, 6) is -107.328768898033
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.328768898033
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.328768898033
******************************************************************
*** Information on right sweep 0 of instruction 1:
*** Elapsed wall time = 0.05604 seconds
*** |--> S.join = 0.000484 seconds
*** |--> S.solve = 0.03477 seconds
*** |--> S.split = 0.000903 seconds
*** |--> Tensor update = 0.019807 seconds
*** |--> create = 0.009077 seconds
*** |--> destroy = 0.000992 seconds
*** |--> disk write = 0.004138 seconds
*** |--> disk read = 0.002734 seconds
*** |--> calc = 0.002861 seconds
*** Disk write bandwidth = 203.287042587376 MB/s
*** Disk read bandwidth = 309.007221883287 MB/s
*** Minimum energy = -107.328768898033
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 1.51487711264053e-11
******************************************************************
*** Information on completed instruction 1:
*** The reduced virtual dimension DSU(2) = 1000
*** The total number of reduced MPS variables = 2280
*** Minimum energy encountered during all instructions = -107.328768898033
*** Minimum energy encountered during the last sweep = -107.328768898033
*** Maximum discarded weight during the last sweep = 0
******************************************************************
********************************************
*** 2-RDM and Correlations calculation ***
********************************************
N(N-1) = 182
Double trace of DMRG 2-RDM = 182
Econst + 0.5 * trace(2DM-A * Ham) = -107.328768898032
NOON of irrep Ag = [ 1.99999672241014 , 1.99571463015733 , 1.9849737360406 ].
NOON of irrep B2g = [ 0.53898990512687 ].
NOON of irrep B3g = [ 0.538989904948613 ].
NOON of irrep B1u = [ 1.9999970294725 , 1.99149890562576 , 0.0194690668357527 ].
NOON of irrep B2u = [ 1.46518504978088 ].
NOON of irrep B3u = [ 1.46518504960156 ].
Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000105862743420362 , 0.0587089373994578 , 0.055479280997637 , 1.11957630008157 , 1.11957629998304 , 8.52797481347433e-05 , 0.0421718621322553 , 0.105000352888447 , 1.11261995847475 , 1.11261995857489 ].
Idistance(0) = 4.60188108185042
Idistance(1) = 17.7825010794644
Idistance(2) = 85.6947708202633
***************************************************
*** Timing information 2-RDM and Correlations ***
***************************************************
*** Elapsed wall time = 0.0496 seconds
*** |--> MPS gauge change = 0.00071 seconds
*** |--> Diagram calc = 0.003452 seconds
*** |--> Tensor update = 0.045105 seconds
*** |--> create = 0.020223 seconds
*** |--> destroy = 0.001813 seconds
*** |--> disk write = 0.009199 seconds
*** |--> disk read = 0.006729 seconds
*** |--> calc = 0.007092 seconds
*** Disk write bandwidth = 186.209808757661 MB/s
*** Disk read bandwidth = 254.561455009915 MB/s
***************************************************
FCI::Startup : Number of variables in the FCI vector = 1160
FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.0751953125 MB memory.
FCI::matvec : Wall time = 0.0047 seconds
FCI::matvec : Wall time = 0.004529 seconds
FCI::matvec : Wall time = 0.004481 seconds
FCI::matvec : Wall time = 0.004489 seconds
FCI::matvec : Wall time = 0.004542 seconds
FCI::matvec : Wall time = 0.004519 seconds
FCI::matvec : Wall time = 0.004492 seconds
FCI::matvec : Wall time = 0.004578 seconds
FCI::matvec : Wall time = 0.004572 seconds
FCI::matvec : Wall time = 0.004521 seconds
FCI::matvec : Wall time = 0.004565 seconds
FCI::matvec : Wall time = 0.004568 seconds
FCI::matvec : Wall time = 0.004503 seconds
FCI::matvec : Wall time = 0.004467 seconds
FCI::matvec : Wall time = 0.00451 seconds
FCI::matvec : Wall time = 0.004488 seconds
FCI::matvec : Wall time = 0.004484 seconds
FCI::GSDavidson : Converged ground state energy = -107.328768898033
FCI::CalcSpinSquared : For intended spin 1 the measured S(S+1) = 2 and intended S(S+1) = 2
Info on DMRG::operators rm call to system: 0
CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
Copyright (C) 2013-2021 Sebastian Wouters
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
Stats: nIt(DAVIDSON) = 14
Energy at sites (8, 9) is -103.269459308718
Stats: nIt(DAVIDSON) = 20
Energy at sites (7, 8) is -105.669490432423
Stats: nIt(DAVIDSON) = 29
Energy at sites (6, 7) is -106.994569578365
Stats: nIt(DAVIDSON) = 17
Energy at sites (5, 6) is -106.995262075138
Stats: nIt(DAVIDSON) = 19
Energy at sites (4, 5) is -106.997158060691
Stats: nIt(DAVIDSON) = 21
Energy at sites (3, 4) is -106.99969849588
Stats: nIt(DAVIDSON) = 13
Energy at sites (2, 3) is -107.00788082572
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.00788082572
******************************************************************
*** Information on left sweep 0 of instruction 0:
*** Elapsed wall time = 0.077106 seconds
*** |--> S.join = 0.000223 seconds
*** |--> S.solve = 0.060673 seconds
*** |--> S.split = 0.000759 seconds
*** |--> Tensor update = 0.015376 seconds
*** |--> create = 0.006939 seconds
*** |--> destroy = 0.001003 seconds
*** |--> disk write = 0.003339 seconds
*** |--> disk read = 0.002629 seconds
*** |--> calc = 0.001453 seconds
*** Disk write bandwidth = 58.4874548716401 MB/s
*** Disk read bandwidth = 73.8707637097637 MB/s
*** Minimum energy = -107.00788082572
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.00788082572
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.00788082572
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.00788082572
Stats: nIt(DAVIDSON) = 6
Energy at sites (3, 4) is -107.00788141566
Stats: nIt(DAVIDSON) = 10
Energy at sites (4, 5) is -107.00788360512
Stats: nIt(DAVIDSON) = 10
Energy at sites (5, 6) is -107.007920342046
Stats: nIt(DAVIDSON) = 2
Energy at sites (6, 7) is -107.007920343672
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.007920343672
******************************************************************
*** Information on right sweep 0 of instruction 0:
*** Elapsed wall time = 0.034023 seconds
*** |--> S.join = 0.000358 seconds
*** |--> S.solve = 0.017475 seconds
*** |--> S.split = 0.000681 seconds
*** |--> Tensor update = 0.01544 seconds
*** |--> create = 0.007039 seconds
*** |--> destroy = 0.000983 seconds
*** |--> disk write = 0.003319 seconds
*** |--> disk read = 0.00262 seconds
*** |--> calc = 0.001469 seconds
*** Disk write bandwidth = 58.5134792988758 MB/s
*** Disk read bandwidth = 74.5380197772543 MB/s
*** Minimum energy = -107.007920343672
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 107.007920343672
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.007920343672
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.007920343672
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.007920343672
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.007920343672
Stats: nIt(DAVIDSON) = 3
Energy at sites (4, 5) is -107.007920355769
Stats: nIt(DAVIDSON) = 5
Energy at sites (3, 4) is -107.00792037945
Stats: nIt(DAVIDSON) = 4
Energy at sites (2, 3) is -107.007920596378
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.007920596378
******************************************************************
*** Information on left sweep 1 of instruction 0:
*** Elapsed wall time = 0.02339 seconds
*** |--> S.join = 0.000357 seconds
*** |--> S.solve = 0.007021 seconds
*** |--> S.split = 0.000643 seconds
*** |--> Tensor update = 0.015301 seconds
*** |--> create = 0.006918 seconds
*** |--> destroy = 0.000972000000000039 seconds
*** |--> disk write = 0.003218 seconds
*** |--> disk read = 0.002694 seconds
*** |--> calc = 0.001485 seconds
*** Disk write bandwidth = 60.6866413351169 MB/s
*** Disk read bandwidth = 72.088432736811 MB/s
*** Minimum energy = -107.007920596378
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.007920596378
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.007920596378
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.007920596378
Stats: nIt(DAVIDSON) = 2
Energy at sites (3, 4) is -107.007920596493
Stats: nIt(DAVIDSON) = 2
Energy at sites (4, 5) is -107.007920596513
Stats: nIt(DAVIDSON) = 3
Energy at sites (5, 6) is -107.007920599387
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.007920599387
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.007920599387
******************************************************************
*** Information on right sweep 1 of instruction 0:
*** Elapsed wall time = 0.022784 seconds
*** |--> S.join = 0.000367 seconds
*** |--> S.solve = 0.006286 seconds
*** |--> S.split = 0.00062 seconds
*** |--> Tensor update = 0.015424 seconds
*** |--> create = 0.006978 seconds
*** |--> destroy = 0.000972 seconds
*** |--> disk write = 0.003279 seconds
*** |--> disk read = 0.002691 seconds
*** |--> calc = 0.001491 seconds
*** Disk write bandwidth = 59.2272759356416 MB/s
*** Disk read bandwidth = 72.5713904929046 MB/s
*** Minimum energy = -107.007920599387
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 2.55714724062273e-07
******************************************************************
*** Information on completed instruction 0:
*** The reduced virtual dimension DSU(2) = 500
*** The total number of reduced MPS variables = 631
*** Minimum energy encountered during all instructions = -107.007920599387
*** Minimum energy encountered during the last sweep = -107.007920599387
*** Maximum discarded weight during the last sweep = 0
******************************************************************
Stats: nIt(DAVIDSON) = 7
Energy at sites (8, 9) is -107.007920599387
Stats: nIt(DAVIDSON) = 8
Energy at sites (7, 8) is -107.007920599391
Stats: nIt(DAVIDSON) = 14
Energy at sites (6, 7) is -107.007920599395
Stats: nIt(DAVIDSON) = 13
Energy at sites (5, 6) is -107.007920599395
Stats: nIt(DAVIDSON) = 12
Energy at sites (4, 5) is -107.007920599396
Stats: nIt(DAVIDSON) = 12
Energy at sites (3, 4) is -107.007920599396
Stats: nIt(DAVIDSON) = 10
Energy at sites (2, 3) is -107.007920599438
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.007920599438
******************************************************************
*** Information on left sweep 0 of instruction 1:
*** Elapsed wall time = 0.052722 seconds
*** |--> S.join = 0.000415 seconds
*** |--> S.solve = 0.036079 seconds
*** |--> S.split = 0.000684 seconds
*** |--> Tensor update = 0.015473 seconds
*** |--> create = 0.006942 seconds
*** |--> destroy = 0.000988 seconds
*** |--> disk write = 0.003331 seconds
*** |--> disk read = 0.00273 seconds
*** |--> calc = 0.001473 seconds
*** Disk write bandwidth = 58.6279230910856 MB/s
*** Disk read bandwidth = 71.1378160413805 MB/s
*** Minimum energy = -107.007920599438
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.007920599438
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.007920599438
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.007920599438
Stats: nIt(DAVIDSON) = 9
Energy at sites (3, 4) is -107.007920599438
Stats: nIt(DAVIDSON) = 11
Energy at sites (4, 5) is -107.007920599438
Stats: nIt(DAVIDSON) = 13
Energy at sites (5, 6) is -107.007920599439
Stats: nIt(DAVIDSON) = 6
Energy at sites (6, 7) is -107.007920599439
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.007920599439
******************************************************************
*** Information on right sweep 0 of instruction 1:
*** Elapsed wall time = 0.040277 seconds
*** |--> S.join = 0.000352 seconds
*** |--> S.solve = 0.023728 seconds
*** |--> S.split = 0.000652 seconds
*** |--> Tensor update = 0.015478 seconds
*** |--> create = 0.007053 seconds
*** |--> destroy = 0.000992 seconds
*** |--> disk write = 0.003303 seconds
*** |--> disk read = 0.002645 seconds
*** |--> calc = 0.001472 seconds
*** Disk write bandwidth = 58.7969233402873 MB/s
*** Disk read bandwidth = 73.8335016319116 MB/s
*** Minimum energy = -107.007920599439
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 5.19264631293481e-11
******************************************************************
*** Information on completed instruction 1:
*** The reduced virtual dimension DSU(2) = 1000
*** The total number of reduced MPS variables = 631
*** Minimum energy encountered during all instructions = -107.007920599439
*** Minimum energy encountered during the last sweep = -107.007920599439
*** Maximum discarded weight during the last sweep = 0
******************************************************************
********************************************
*** 2-RDM and Correlations calculation ***
********************************************
N(N-1) = 182
Double trace of DMRG 2-RDM = 182
Econst + 0.5 * trace(2DM-A * Ham) = -107.007920599439
NOON of irrep Ag = [ 1.99999761728536 , 1.99817458730727 , 1.99099529624561 ].
NOON of irrep B2g = [ 0.999157310966812 ].
NOON of irrep B3g = [ 0.999157310980583 ].
NOON of irrep B1u = [ 1.99999763398155 , 1.99356772576305 , 0.0151843202343629 ].
NOON of irrep B2u = [ 1.00188409861003 ].
NOON of irrep B3u = [ 1.00188409862536 ].
Single-orbital entropies (Hamiltonian index order is used!) = [ 4.85624957964038e-05 , 0.043979513598429 , 0.0191227039484633 , 0.710073263276998 , 0.710073263184135 , 0.000114194275597801 , 0.0501988276414713 , 0.0847680564600971 , 0.70939318637296 , 0.709393186461326 ].
Idistance(0) = 1.96740723934915
Idistance(1) = 7.24682976225566
Idistance(2) = 34.6048709753585
***************************************************
*** Timing information 2-RDM and Correlations ***
***************************************************
*** Elapsed wall time = 0.037964 seconds
*** |--> MPS gauge change = 0.000535 seconds
*** |--> Diagram calc = 0.002417 seconds
*** |--> Tensor update = 0.034667 seconds
*** |--> create = 0.015828 seconds
*** |--> destroy = 0.001702 seconds
*** |--> disk write = 0.007445 seconds
*** |--> disk read = 0.005933 seconds
*** |--> calc = 0.003715 seconds
*** Disk write bandwidth = 54.9634084195559 MB/s
*** Disk read bandwidth = 68.9706009916726 MB/s
***************************************************
FCI::Startup : Number of variables in the FCI vector = 276
FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.01904296875 MB memory.
FCI::matvec : Wall time = 0.003106 seconds
FCI::matvec : Wall time = 0.002981 seconds
FCI::matvec : Wall time = 0.002968 seconds
FCI::matvec : Wall time = 0.00295 seconds
FCI::matvec : Wall time = 0.002935 seconds
FCI::matvec : Wall time = 0.002923 seconds
FCI::matvec : Wall time = 0.002924 seconds
FCI::matvec : Wall time = 0.002916 seconds
FCI::matvec : Wall time = 0.002928 seconds
FCI::matvec : Wall time = 0.002914 seconds
FCI::matvec : Wall time = 0.002878 seconds
FCI::matvec : Wall time = 0.002994 seconds
FCI::GSDavidson : Converged ground state energy = -107.007920599439
FCI::CalcSpinSquared : For intended spin 2 the measured S(S+1) = 6.00000000000002 and intended S(S+1) = 6
Info on DMRG::operators rm call to system: 0
CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
Copyright (C) 2013-2021 Sebastian Wouters
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
Stats: nIt(DAVIDSON) = 12
Energy at sites (8, 9) is -98.8324891376676
Stats: nIt(DAVIDSON) = 25
Energy at sites (7, 8) is -105.793476294608
Stats: nIt(DAVIDSON) = 46
Energy at sites (6, 7) is -105.903281083355
Stats: nIt(DAVIDSON) = 51
Energy at sites (5, 6) is -105.905982410744
Stats: nIt(DAVIDSON) = 42
Energy at sites (4, 5) is -106.147625217151
Stats: nIt(DAVIDSON) = 29
Energy at sites (3, 4) is -106.170204751257
Stats: nIt(DAVIDSON) = 5
Energy at sites (2, 3) is -106.17020480564
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.17020480564
******************************************************************
*** Information on left sweep 0 of instruction 0:
*** Elapsed wall time = 0.130043 seconds
*** |--> S.join = 0.00023 seconds
*** |--> S.solve = 0.113387 seconds
*** |--> S.split = 0.000827 seconds
*** |--> Tensor update = 0.015519 seconds
*** |--> create = 0.007003 seconds
*** |--> destroy = 0.00099 seconds
*** |--> disk write = 0.003467 seconds
*** |--> disk read = 0.002579 seconds
*** |--> calc = 0.00147 seconds
*** Disk write bandwidth = 58.2228210290777 MB/s
*** Disk read bandwidth = 77.8499986368263 MB/s
*** Minimum energy = -106.17020480564
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -106.17020480564
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.17020480564
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -106.17020480564
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -106.17020480564
Stats: nIt(DAVIDSON) = 10
Energy at sites (4, 5) is -106.170336770905
Stats: nIt(DAVIDSON) = 11
Energy at sites (5, 6) is -106.191348041845
Stats: nIt(DAVIDSON) = 2
Energy at sites (6, 7) is -106.19134804198
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.19134804198
******************************************************************
*** Information on right sweep 0 of instruction 0:
*** Elapsed wall time = 0.033535 seconds
*** |--> S.join = 0.000367 seconds
*** |--> S.solve = 0.017147 seconds
*** |--> S.split = 0.000624 seconds
*** |--> Tensor update = 0.015315 seconds
*** |--> create = 0.007072 seconds
*** |--> destroy = 0.000956 seconds
*** |--> disk write = 0.003264 seconds
*** |--> disk read = 0.002545 seconds
*** |--> calc = 0.001467 seconds
*** Disk write bandwidth = 61.5119934082031 MB/s
*** Disk read bandwidth = 79.3157251504175 MB/s
*** Minimum energy = -106.19134804198
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 106.19134804198
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -106.19134804198
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.19134804198
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -106.19134804198
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -106.19134804198
Stats: nIt(DAVIDSON) = 9
Energy at sites (4, 5) is -106.191410965534
Stats: nIt(DAVIDSON) = 9
Energy at sites (3, 4) is -106.191464320418
Stats: nIt(DAVIDSON) = 3
Energy at sites (2, 3) is -106.191464324817
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.191464324817
******************************************************************
*** Information on left sweep 1 of instruction 0:
*** Elapsed wall time = 0.027358 seconds
*** |--> S.join = 0.000374 seconds
*** |--> S.solve = 0.010912 seconds
*** |--> S.split = 0.000655 seconds
*** |--> Tensor update = 0.015348 seconds
*** |--> create = 0.00705 seconds
*** |--> destroy = 0.000988 seconds
*** |--> disk write = 0.003248 seconds
*** |--> disk read = 0.002587 seconds
*** |--> calc = 0.001462 seconds
*** Disk write bandwidth = 62.1485592696467 MB/s
*** Disk read bandwidth = 77.6092564686413 MB/s
*** Minimum energy = -106.191464324817
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -106.191464324817
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.191464324817
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -106.191464324817
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -106.191464324817
Stats: nIt(DAVIDSON) = 4
Energy at sites (4, 5) is -106.191464355857
Stats: nIt(DAVIDSON) = 9
Energy at sites (5, 6) is -106.191466470417
Stats: nIt(DAVIDSON) = 2
Energy at sites (6, 7) is -106.191466470612
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.191466470612
******************************************************************
*** Information on right sweep 1 of instruction 0:
*** Elapsed wall time = 0.028744 seconds
*** |--> S.join = 0.000362 seconds
*** |--> S.solve = 0.012371 seconds
*** |--> S.split = 0.000569 seconds
*** |--> Tensor update = 0.015373 seconds
*** |--> create = 0.007079 seconds
*** |--> destroy = 0.000977 seconds
*** |--> disk write = 0.003298 seconds
*** |--> disk read = 0.00255 seconds
*** |--> calc = 0.001464 seconds
*** Disk write bandwidth = 60.8778491462629 MB/s
*** Disk read bandwidth = 79.1602041207108 MB/s
*** Minimum energy = -106.191466470612
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 0.000118428632703171
******************************************************************
*** Information on completed instruction 0:
*** The reduced virtual dimension DSU(2) = 500
*** The total number of reduced MPS variables = 621
*** Minimum energy encountered during all instructions = -106.191466470612
*** Minimum energy encountered during the last sweep = -106.191466470612
*** Maximum discarded weight during the last sweep = 0
******************************************************************
Stats: nIt(DAVIDSON) = 9
Energy at sites (8, 9) is -106.191466470613
Stats: nIt(DAVIDSON) = 10
Energy at sites (7, 8) is -106.191466470614
Stats: nIt(DAVIDSON) = 9
Energy at sites (6, 7) is -106.191466470614
Stats: nIt(DAVIDSON) = 13
Energy at sites (5, 6) is -106.191466470623
Stats: nIt(DAVIDSON) = 17
Energy at sites (4, 5) is -106.191466511781
Stats: nIt(DAVIDSON) = 20
Energy at sites (3, 4) is -106.191466569752
Stats: nIt(DAVIDSON) = 9
Energy at sites (2, 3) is -106.191466569756
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.191466569756
******************************************************************
*** Information on left sweep 0 of instruction 1:
*** Elapsed wall time = 0.054087 seconds
*** |--> S.join = 0.000411 seconds
*** |--> S.solve = 0.037508 seconds
*** |--> S.split = 0.000693 seconds
*** |--> Tensor update = 0.015402 seconds
*** |--> create = 0.007025 seconds
*** |--> destroy = 0.000984 seconds
*** |--> disk write = 0.003312 seconds
*** |--> disk read = 0.002617 seconds
*** |--> calc = 0.001459 seconds
*** Disk write bandwidth = 60.9476209262719 MB/s
*** Disk read bandwidth = 76.7195821491689 MB/s
*** Minimum energy = -106.191466569756
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -106.191466569756
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.191466569756
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -106.191466569756
Stats: nIt(DAVIDSON) = 6
Energy at sites (3, 4) is -106.191466569756
Stats: nIt(DAVIDSON) = 14
Energy at sites (4, 5) is -106.191466569781
Stats: nIt(DAVIDSON) = 18
Energy at sites (5, 6) is -106.19146657558
Stats: nIt(DAVIDSON) = 4
Energy at sites (6, 7) is -106.19146657558
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.19146657558
******************************************************************
*** Information on right sweep 0 of instruction 1:
*** Elapsed wall time = 0.043908 seconds
*** |--> S.join = 0.000348 seconds
*** |--> S.solve = 0.027181 seconds
*** |--> S.split = 0.000698 seconds
*** |--> Tensor update = 0.015516 seconds
*** |--> create = 0.007148 seconds
*** |--> destroy = 0.000983 seconds
*** |--> disk write = 0.003317 seconds
*** |--> disk read = 0.002565 seconds
*** |--> calc = 0.001493 seconds
*** Disk write bandwidth = 60.5291367152171 MB/s
*** Disk read bandwidth = 78.6972789504142 MB/s
*** Minimum energy = -106.19146657558
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 1.04967625702557e-07
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -106.19146657558
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.19146657558
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -106.19146657558
Stats: nIt(DAVIDSON) = 3
Energy at sites (5, 6) is -106.19146657558
Stats: nIt(DAVIDSON) = 14
Energy at sites (4, 5) is -106.191466575755
Stats: nIt(DAVIDSON) = 17
Energy at sites (3, 4) is -106.191466575928
Stats: nIt(DAVIDSON) = 5
Energy at sites (2, 3) is -106.191466575928
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.191466575928
******************************************************************
*** Information on left sweep 1 of instruction 1:
*** Elapsed wall time = 0.034263 seconds
*** |--> S.join = 0.00024 seconds
*** |--> S.solve = 0.017951 seconds
*** |--> S.split = 0.00053 seconds
*** |--> Tensor update = 0.015387 seconds
*** |--> create = 0.006961 seconds
*** |--> destroy = 0.000982 seconds
*** |--> disk write = 0.00336 seconds
*** |--> disk read = 0.002597 seconds
*** |--> calc = 0.001477 seconds
*** Disk write bandwidth = 60.0769406273252 MB/s
*** Disk read bandwidth = 77.3104145107335 MB/s
*** Minimum energy = -106.191466575928
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -106.191466575928
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.191466575928
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -106.191466575928
Stats: nIt(DAVIDSON) = 2
Energy at sites (3, 4) is -106.191466575928
Stats: nIt(DAVIDSON) = 11
Energy at sites (4, 5) is -106.191466575928
Stats: nIt(DAVIDSON) = 15
Energy at sites (5, 6) is -106.191466575949
Stats: nIt(DAVIDSON) = 3
Energy at sites (6, 7) is -106.191466575949
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.191466575949
******************************************************************
*** Information on right sweep 1 of instruction 1:
*** Elapsed wall time = 0.038234 seconds
*** |--> S.join = 0.000241 seconds
*** |--> S.solve = 0.021773 seconds
*** |--> S.split = 0.000522 seconds
*** |--> Tensor update = 0.015548 seconds
*** |--> create = 0.00714 seconds
*** |--> destroy = 0.000977 seconds
*** |--> disk write = 0.003346 seconds
*** |--> disk read = 0.002598 seconds
*** |--> calc = 0.001475 seconds
*** Disk write bandwidth = 60.0045267436865 MB/s
*** Disk read bandwidth = 77.6976599337231 MB/s
*** Minimum energy = -106.191466575949
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 3.68885366697214e-10
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -106.191466575949
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.191466575949
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -106.191466575949
Stats: nIt(DAVIDSON) = 2
Energy at sites (5, 6) is -106.191466575949
Stats: nIt(DAVIDSON) = 12
Energy at sites (4, 5) is -106.19146657595
Stats: nIt(DAVIDSON) = 13
Energy at sites (3, 4) is -106.19146657595
Stats: nIt(DAVIDSON) = 3
Energy at sites (2, 3) is -106.19146657595
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.19146657595
******************************************************************
*** Information on left sweep 2 of instruction 1:
*** Elapsed wall time = 0.030624 seconds
*** |--> S.join = 0.000224 seconds
*** |--> S.solve = 0.014419 seconds
*** |--> S.split = 0.00052 seconds
*** |--> Tensor update = 0.01531 seconds
*** |--> create = 0.007032 seconds
*** |--> destroy = 0.000964 seconds
*** |--> disk write = 0.003244 seconds
*** |--> disk read = 0.00259 seconds
*** |--> calc = 0.00147 seconds
*** Disk write bandwidth = 62.2251912786105 MB/s
*** Disk read bandwidth = 77.5193615769788 MB/s
*** Minimum energy = -106.19146657595
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -106.19146657595
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -106.19146657595
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -106.19146657595
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -106.19146657595
Stats: nIt(DAVIDSON) = 7
Energy at sites (4, 5) is -106.19146657595
Stats: nIt(DAVIDSON) = 11
Energy at sites (5, 6) is -106.19146657595
Stats: nIt(DAVIDSON) = 2
Energy at sites (6, 7) is -106.19146657595
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -106.19146657595
******************************************************************
*** Information on right sweep 2 of instruction 1:
*** Elapsed wall time = 0.03193 seconds
*** |--> S.join = 0.000225 seconds
*** |--> S.solve = 0.015609 seconds
*** |--> S.split = 0.000536 seconds
*** |--> Tensor update = 0.015408 seconds
*** |--> create = 0.007064 seconds
*** |--> destroy = 0.000957 seconds
*** |--> disk write = 0.003306 seconds
*** |--> disk read = 0.002585 seconds
*** |--> calc = 0.001487 seconds
*** Disk write bandwidth = 60.7305343267922 MB/s
*** Disk read bandwidth = 78.088402517529 MB/s
*** Minimum energy = -106.19146657595
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 1.22213350550737e-12
******************************************************************
*** Information on completed instruction 1:
*** The reduced virtual dimension DSU(2) = 1000
*** The total number of reduced MPS variables = 621
*** Minimum energy encountered during all instructions = -106.19146657595
*** Minimum energy encountered during the last sweep = -106.19146657595
*** Maximum discarded weight during the last sweep = 0
******************************************************************
********************************************
*** 2-RDM and Correlations calculation ***
********************************************
N(N-1) = 182
Double trace of DMRG 2-RDM = 182
Econst + 0.5 * trace(2DM-A * Ham) = -106.19146657595
NOON of irrep Ag = [ 1.99999399659823 , 1.99366325802507 , 1.8719004979116 ].
NOON of irrep B2g = [ 0.584814280363872 ].
NOON of irrep B3g = [ 0.584814277743405 ].
NOON of irrep B1u = [ 1.99999783389169 , 1.12096428959411 , 1.00219410923353 ].
NOON of irrep B2u = [ 1.42082873441957 ].
NOON of irrep B3u = [ 1.42082872221893 ].
Single-orbital entropies (Hamiltonian index order is used!) = [ 8.1712805122555e-05 , 0.0722109482779551 , 0.460791889536721 , 1.13075778342914 , 1.13075779465294 , 6.17502967521583e-05 , 0.977139012020289 , 0.73593647225862 , 1.1204272309124 , 1.12042723675327 ].
Idistance(0) = 5.65234387673954
Idistance(1) = 19.8382955708066
Idistance(2) = 88.8195402423415
***************************************************
*** Timing information 2-RDM and Correlations ***
***************************************************
*** Elapsed wall time = 0.038164 seconds
*** |--> MPS gauge change = 0.000372 seconds
*** |--> Diagram calc = 0.002418 seconds
*** |--> Tensor update = 0.034906 seconds
*** |--> create = 0.015901 seconds
*** |--> destroy = 0.001739 seconds
*** |--> disk write = 0.0075 seconds
*** |--> disk read = 0.005909 seconds
*** |--> calc = 0.003804 seconds
*** Disk write bandwidth = 56.3120524088542 MB/s
*** Disk read bandwidth = 71.4740891972256 MB/s
***************************************************
FCI::Startup : Number of variables in the FCI vector = 276
FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.01904296875 MB memory.
FCI::matvec : Wall time = 0.003082 seconds
FCI::matvec : Wall time = 0.002967 seconds
FCI::matvec : Wall time = 0.002958 seconds
FCI::matvec : Wall time = 0.002965 seconds
FCI::matvec : Wall time = 0.00297 seconds
FCI::matvec : Wall time = 0.002953 seconds
FCI::matvec : Wall time = 0.002945 seconds
FCI::matvec : Wall time = 0.002937 seconds
FCI::matvec : Wall time = 0.002914 seconds
FCI::matvec : Wall time = 0.00291 seconds
FCI::matvec : Wall time = 0.002912 seconds
FCI::matvec : Wall time = 0.0029 seconds
FCI::matvec : Wall time = 0.002938 seconds
FCI::matvec : Wall time = 0.002917 seconds
FCI::matvec : Wall time = 0.002903 seconds
FCI::matvec : Wall time = 0.002932 seconds
FCI::matvec : Wall time = 0.002889 seconds
FCI::matvec : Wall time = 0.002898 seconds
FCI::GSDavidson : Converged ground state energy = -106.19146657595
FCI::CalcSpinSquared : For intended spin 2 the measured S(S+1) = 6 and intended S(S+1) = 6
Info on DMRG::operators rm call to system: 0
CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
Copyright (C) 2013-2021 Sebastian Wouters
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
Stats: nIt(DAVIDSON) = 15
Energy at sites (8, 9) is -100.682811510812
Stats: nIt(DAVIDSON) = 26
Energy at sites (7, 8) is -106.575404829905
Stats: nIt(DAVIDSON) = 36
Energy at sites (6, 7) is -106.779416045984
Stats: nIt(DAVIDSON) = 110
Energy at sites (5, 6) is -106.811011644715
Stats: nIt(DAVIDSON) = 29
Energy at sites (4, 5) is -107.336979847131
Stats: nIt(DAVIDSON) = 16
Energy at sites (3, 4) is -107.337092499915
Stats: nIt(DAVIDSON) = 8
Energy at sites (2, 3) is -107.337094393111
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.337094393111
******************************************************************
*** Information on left sweep 0 of instruction 0:
*** Elapsed wall time = 0.359356 seconds
*** |--> S.join = 0.000402 seconds
*** |--> S.solve = 0.337256 seconds
*** |--> S.split = 0.001038 seconds
*** |--> Tensor update = 0.020484 seconds
*** |--> create = 0.008933 seconds
*** |--> destroy = 0.001138 seconds
*** |--> disk write = 0.004423 seconds
*** |--> disk read = 0.00289 seconds
*** |--> calc = 0.003085 seconds
*** Disk write bandwidth = 185.120194685451 MB/s
*** Disk read bandwidth = 282.063203699449 MB/s
*** Minimum energy = -107.337094393111
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.337094393111
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.337094393111
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.337094393111
Stats: nIt(DAVIDSON) = 5
Energy at sites (3, 4) is -107.337094395235
Stats: nIt(DAVIDSON) = 4
Energy at sites (4, 5) is -107.337094450368
Stats: nIt(DAVIDSON) = 14
Energy at sites (5, 6) is -107.34629310308
Stats: nIt(DAVIDSON) = 5
Energy at sites (6, 7) is -107.346297558865
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.346297558864
******************************************************************
*** Information on right sweep 0 of instruction 0:
*** Elapsed wall time = 0.066036 seconds
*** |--> S.join = 0.000379 seconds
*** |--> S.solve = 0.044635 seconds
*** |--> S.split = 0.000869 seconds
*** |--> Tensor update = 0.019986 seconds
*** |--> create = 0.009067 seconds
*** |--> destroy = 0.001047 seconds
*** |--> disk write = 0.004149 seconds
*** |--> disk read = 0.002733 seconds
*** |--> calc = 0.002979 seconds
*** Disk write bandwidth = 196.472079703882 MB/s
*** Disk read bandwidth = 299.592616572905 MB/s
*** Minimum energy = -107.346297558865
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 107.346297558864
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.346297558864
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.346297558864
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.346297558864
Stats: nIt(DAVIDSON) = 5
Energy at sites (5, 6) is -107.346297564829
Stats: nIt(DAVIDSON) = 7
Energy at sites (4, 5) is -107.346325108766
Stats: nIt(DAVIDSON) = 6
Energy at sites (3, 4) is -107.346325928697
Stats: nIt(DAVIDSON) = 2
Energy at sites (2, 3) is -107.346325928825
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.346325928825
******************************************************************
*** Information on left sweep 1 of instruction 0:
*** Elapsed wall time = 0.046355 seconds
*** |--> S.join = 0.000389 seconds
*** |--> S.solve = 0.025223 seconds
*** |--> S.split = 0.000819 seconds
*** |--> Tensor update = 0.01977 seconds
*** |--> create = 0.008867 seconds
*** |--> destroy = 0.001016 seconds
*** |--> disk write = 0.004074 seconds
*** |--> disk read = 0.002783 seconds
*** |--> calc = 0.00302 seconds
*** Disk write bandwidth = 200.978552060322 MB/s
*** Disk read bandwidth = 292.907890295151 MB/s
*** Minimum energy = -107.346325928825
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.346325928825
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.346325928825
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.346325928825
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.346325928825
Stats: nIt(DAVIDSON) = 2
Energy at sites (4, 5) is -107.346325929043
Stats: nIt(DAVIDSON) = 6
Energy at sites (5, 6) is -107.346326113708
Stats: nIt(DAVIDSON) = 2
Energy at sites (6, 7) is -107.346326114503
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.346326114503
******************************************************************
*** Information on right sweep 1 of instruction 0:
*** Elapsed wall time = 0.04151 seconds
*** |--> S.join = 0.00038 seconds
*** |--> S.solve = 0.020192 seconds
*** |--> S.split = 0.000809 seconds
*** |--> Tensor update = 0.019973 seconds
*** |--> create = 0.009141 seconds
*** |--> destroy = 0.001015 seconds
*** |--> disk write = 0.004111 seconds
*** |--> disk read = 0.00274 seconds
*** |--> calc = 0.002959 seconds
*** Disk write bandwidth = 198.288168010559 MB/s
*** Disk read bandwidth = 298.827233975821 MB/s
*** Minimum energy = -107.346326114503
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 2.8555638692751e-05
******************************************************************
*** Information on completed instruction 0:
*** The reduced virtual dimension DSU(2) = 500
*** The total number of reduced MPS variables = 2128
*** Minimum energy encountered during all instructions = -107.346326114503
*** Minimum energy encountered during the last sweep = -107.346326114503
*** Maximum discarded weight during the last sweep = 0
******************************************************************
Stats: nIt(DAVIDSON) = 7
Energy at sites (8, 9) is -107.346326114505
Stats: nIt(DAVIDSON) = 9
Energy at sites (7, 8) is -107.346326114511
Stats: nIt(DAVIDSON) = 12
Energy at sites (6, 7) is -107.346326114515
Stats: nIt(DAVIDSON) = 17
Energy at sites (5, 6) is -107.346326114527
Stats: nIt(DAVIDSON) = 12
Energy at sites (4, 5) is -107.346326115002
Stats: nIt(DAVIDSON) = 14
Energy at sites (3, 4) is -107.34632611502
Stats: nIt(DAVIDSON) = 9
Energy at sites (2, 3) is -107.34632611502
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.34632611502
******************************************************************
*** Information on left sweep 0 of instruction 1:
*** Elapsed wall time = 0.106489 seconds
*** |--> S.join = 0.000438 seconds
*** |--> S.solve = 0.085005 seconds
*** |--> S.split = 0.000879 seconds
*** |--> Tensor update = 0.020002 seconds
*** |--> create = 0.008947 seconds
*** |--> destroy = 0.001046 seconds
*** |--> disk write = 0.004174 seconds
*** |--> disk read = 0.00281 seconds
*** |--> calc = 0.003015 seconds
*** Disk write bandwidth = 196.163541229935 MB/s
*** Disk read bandwidth = 290.093472843917 MB/s
*** Minimum energy = -107.34632611502
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.34632611502
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.34632611502
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.34632611502
Stats: nIt(DAVIDSON) = 8
Energy at sites (3, 4) is -107.34632611502
Stats: nIt(DAVIDSON) = 7
Energy at sites (4, 5) is -107.34632611502
Stats: nIt(DAVIDSON) = 17
Energy at sites (5, 6) is -107.346326115025
Stats: nIt(DAVIDSON) = 7
Energy at sites (6, 7) is -107.346326115025
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.346326115024
******************************************************************
*** Information on right sweep 0 of instruction 1:
*** Elapsed wall time = 0.080363 seconds
*** |--> S.join = 0.000401 seconds
*** |--> S.solve = 0.058823 seconds
*** |--> S.split = 0.000863 seconds
*** |--> Tensor update = 0.020115 seconds
*** |--> create = 0.009136 seconds
*** |--> destroy = 0.001061 seconds
*** |--> disk write = 0.004197 seconds
*** |--> disk read = 0.00272 seconds
*** |--> calc = 0.002992 seconds
*** Disk write bandwidth = 194.225079507126 MB/s
*** Disk read bandwidth = 301.024493049173 MB/s
*** Minimum energy = -107.346326115025
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 5.21396259500762e-10
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.346326115025
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.346326115024
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.346326115024
Stats: nIt(DAVIDSON) = 6
Energy at sites (5, 6) is -107.346326115025
Stats: nIt(DAVIDSON) = 9
Energy at sites (4, 5) is -107.346326115025
Stats: nIt(DAVIDSON) = 9
Energy at sites (3, 4) is -107.346326115025
Stats: nIt(DAVIDSON) = 3
Energy at sites (2, 3) is -107.346326115024
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.346326115025
******************************************************************
*** Information on left sweep 1 of instruction 1:
*** Elapsed wall time = 0.053234 seconds
*** |--> S.join = 0.000405 seconds
*** |--> S.solve = 0.03178 seconds
*** |--> S.split = 0.00089 seconds
*** |--> Tensor update = 0.020003 seconds
*** |--> create = 0.008846 seconds
*** |--> destroy = 0.001125 seconds
*** |--> disk write = 0.004047 seconds
*** |--> disk read = 0.002797 seconds
*** |--> calc = 0.003176 seconds
*** Disk write bandwidth = 202.319402296454 MB/s
*** Disk read bandwidth = 291.441780011229 MB/s
*** Minimum energy = -107.346326115025
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.346326115025
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.346326115025
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.346326115024
Stats: nIt(DAVIDSON) = 2
Energy at sites (3, 4) is -107.346326115025
Stats: nIt(DAVIDSON) = 3
Energy at sites (4, 5) is -107.346326115025
Stats: nIt(DAVIDSON) = 11
Energy at sites (5, 6) is -107.346326115024
Stats: nIt(DAVIDSON) = 3
Energy at sites (6, 7) is -107.346326115025
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.346326115025
******************************************************************
*** Information on right sweep 1 of instruction 1:
*** Elapsed wall time = 0.054786 seconds
*** |--> S.join = 0.000382 seconds
*** |--> S.solve = 0.033218 seconds
*** |--> S.split = 0.000847 seconds
*** |--> Tensor update = 0.020175 seconds
*** |--> create = 0.00917 seconds
*** |--> destroy = 0.001049 seconds
*** |--> disk write = 0.00413 seconds
*** |--> disk read = 0.002818 seconds
*** |--> calc = 0.002993 seconds
*** Disk write bandwidth = 197.375946414384 MB/s
*** Disk read bandwidth = 290.555933674148 MB/s
*** Minimum energy = -107.346326115025
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 2.8421709430404e-14
******************************************************************
*** Information on completed instruction 1:
*** The reduced virtual dimension DSU(2) = 1000
*** The total number of reduced MPS variables = 2128
*** Minimum energy encountered during all instructions = -107.346326115025
*** Minimum energy encountered during the last sweep = -107.346326115025
*** Maximum discarded weight during the last sweep = 0
******************************************************************
********************************************
*** 2-RDM and Correlations calculation ***
********************************************
N(N-1) = 182
Double trace of DMRG 2-RDM = 182
Econst + 0.5 * trace(2DM-A * Ham) = -107.346326115025
NOON of irrep Ag = [ 1.99999018535378 , 1.9929217528186 , 1.03221285668473 ].
NOON of irrep B2g = [ 1.0241531026058 ].
NOON of irrep B3g = [ 0.0896934288104098 ].
NOON of irrep B1u = [ 1.99999295584655 , 1.95039154291236 , 0.0159495095219433 ].
NOON of irrep B2u = [ 1.91962159293612 ].
NOON of irrep B3u = [ 1.97507307250974 ].
Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000121322990810598 , 0.0447141464386545 , 0.838966994594653 , 0.790658960034662 , 0.317368561269667 , 9.24989500125488e-05 , 0.227634117065976 , 0.0907424584627068 , 0.299652804970603 , 0.133979296885215 ].
Idistance(0) = 1.57215407930257
Idistance(1) = 5.15805448357981
Idistance(2) = 21.9866409861128
***************************************************
*** Timing information 2-RDM and Correlations ***
***************************************************
*** Elapsed wall time = 0.049908 seconds
*** |--> MPS gauge change = 0.000478 seconds
*** |--> Diagram calc = 0.003481 seconds
*** |--> Tensor update = 0.045463 seconds
*** |--> create = 0.020535 seconds
*** |--> destroy = 0.001951 seconds
*** |--> disk write = 0.009199 seconds
*** |--> disk read = 0.00643 seconds
*** |--> calc = 0.007294 seconds
*** Disk write bandwidth = 180.548514370193 MB/s
*** Disk read bandwidth = 258.299499796486 MB/s
***************************************************
FCI::Startup : Number of variables in the FCI vector = 1182
FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.06982421875 MB memory.
FCI::matvec : Wall time = 0.004758 seconds
FCI::matvec : Wall time = 0.004537 seconds
FCI::matvec : Wall time = 0.00461 seconds
FCI::matvec : Wall time = 0.004547 seconds
FCI::matvec : Wall time = 0.00449 seconds
FCI::matvec : Wall time = 0.004504 seconds
FCI::matvec : Wall time = 0.004499 seconds
FCI::matvec : Wall time = 0.004661 seconds
FCI::matvec : Wall time = 0.004503 seconds
FCI::matvec : Wall time = 0.004555 seconds
FCI::matvec : Wall time = 0.004478 seconds
FCI::matvec : Wall time = 0.004483 seconds
FCI::matvec : Wall time = 0.004482 seconds
FCI::matvec : Wall time = 0.004476 seconds
FCI::matvec : Wall time = 0.004716 seconds
FCI::matvec : Wall time = 0.004514 seconds
FCI::matvec : Wall time = 0.004524 seconds
FCI::matvec : Wall time = 0.004461 seconds
FCI::GSDavidson : Converged ground state energy = -107.346326115024
FCI::CalcSpinSquared : For intended spin 1 the measured S(S+1) = 2 and intended S(S+1) = 2
Info on DMRG::operators rm call to system: 0
CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
Copyright (C) 2013-2021 Sebastian Wouters
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
Stats: nIt(DAVIDSON) = 13
Energy at sites (8, 9) is -99.3094058260463
Stats: nIt(DAVIDSON) = 36
Energy at sites (7, 8) is -106.238898091222
Stats: nIt(DAVIDSON) = 55
Energy at sites (6, 7) is -106.949942855431
Stats: nIt(DAVIDSON) = 59
Energy at sites (5, 6) is -107.181579311497
Stats: nIt(DAVIDSON) = 48
Energy at sites (4, 5) is -107.188555980777
Stats: nIt(DAVIDSON) = 27
Energy at sites (3, 4) is -107.199474370391
Stats: nIt(DAVIDSON) = 11
Energy at sites (2, 3) is -107.199483651014
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.199483651014
******************************************************************
*** Information on left sweep 0 of instruction 0:
*** Elapsed wall time = 0.3128 seconds
*** |--> S.join = 0.000406 seconds
*** |--> S.solve = 0.290865 seconds
*** |--> S.split = 0.001041 seconds
*** |--> Tensor update = 0.020305 seconds
*** |--> create = 0.008817 seconds
*** |--> destroy = 0.00108 seconds
*** |--> disk write = 0.004606 seconds
*** |--> disk read = 0.002882 seconds
*** |--> calc = 0.002905 seconds
*** Disk write bandwidth = 182.626768137857 MB/s
*** Disk read bandwidth = 290.615868022424 MB/s
*** Minimum energy = -107.199483651014
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.199483651014
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.199483651014
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.199483651014
Stats: nIt(DAVIDSON) = 4
Energy at sites (3, 4) is -107.199483653647
Stats: nIt(DAVIDSON) = 8
Energy at sites (4, 5) is -107.19949077168
Stats: nIt(DAVIDSON) = 21
Energy at sites (5, 6) is -107.199617164799
Stats: nIt(DAVIDSON) = 2
Energy at sites (6, 7) is -107.199617165157
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.199617165157
******************************************************************
*** Information on right sweep 0 of instruction 0:
*** Elapsed wall time = 0.07434 seconds
*** |--> S.join = 0.000347 seconds
*** |--> S.solve = 0.053101 seconds
*** |--> S.split = 0.000854 seconds
*** |--> Tensor update = 0.019885 seconds
*** |--> create = 0.009056 seconds
*** |--> destroy = 0.001064 seconds
*** |--> disk write = 0.004172 seconds
*** |--> disk read = 0.002742 seconds
*** |--> calc = 0.002835 seconds
*** Disk write bandwidth = 200.756215637734 MB/s
*** Disk read bandwidth = 306.775672517494 MB/s
*** Minimum energy = -107.199617165157
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 107.199617165157
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (8, 9) is -107.199617165157
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.199617165157
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.199617165157
Stats: nIt(DAVIDSON) = 1
Energy at sites (5, 6) is -107.199617165157
Stats: nIt(DAVIDSON) = 7
Energy at sites (4, 5) is -107.199617376622
Stats: nIt(DAVIDSON) = 5
Energy at sites (3, 4) is -107.19961742085
Stats: nIt(DAVIDSON) = 2
Energy at sites (2, 3) is -107.199617420963
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.199617420963
******************************************************************
*** Information on left sweep 1 of instruction 0:
*** Elapsed wall time = 0.038557 seconds
*** |--> S.join = 0.000417 seconds
*** |--> S.solve = 0.017562 seconds
*** |--> S.split = 0.000817 seconds
*** |--> Tensor update = 0.019601 seconds
*** |--> create = 0.008808 seconds
*** |--> destroy = 0.001008 seconds
*** |--> disk write = 0.004029 seconds
*** |--> disk read = 0.002802 seconds
*** |--> calc = 0.002945 seconds
*** Disk write bandwidth = 208.781060819799 MB/s
*** Disk read bandwidth = 298.913251834627 MB/s
*** Minimum energy = -107.199617420963
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.199617420963
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.199617420963
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.199617420963
Stats: nIt(DAVIDSON) = 1
Energy at sites (3, 4) is -107.199617420963
Stats: nIt(DAVIDSON) = 2
Energy at sites (4, 5) is -107.199617421004
Stats: nIt(DAVIDSON) = 3
Energy at sites (5, 6) is -107.199617421875
Stats: nIt(DAVIDSON) = 1
Energy at sites (6, 7) is -107.199617421875
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.199617421875
******************************************************************
*** Information on right sweep 1 of instruction 0:
*** Elapsed wall time = 0.033292 seconds
*** |--> S.join = 0.000359 seconds
*** |--> S.solve = 0.012179 seconds
*** |--> S.split = 0.000834 seconds
*** |--> Tensor update = 0.019757 seconds
*** |--> create = 0.008951 seconds
*** |--> destroy = 0.001074 seconds
*** |--> disk write = 0.004127 seconds
*** |--> disk read = 0.002735 seconds
*** |--> calc = 0.002859 seconds
*** Disk write bandwidth = 202.94522210822 MB/s
*** Disk read bandwidth = 307.560838772566 MB/s
*** Minimum energy = -107.199617421875
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 2.56717953561747e-07
******************************************************************
*** Information on completed instruction 0:
*** The reduced virtual dimension DSU(2) = 500
*** The total number of reduced MPS variables = 2254
*** Minimum energy encountered during all instructions = -107.199617421875
*** Minimum energy encountered during the last sweep = -107.199617421875
*** Maximum discarded weight during the last sweep = 0
******************************************************************
Stats: nIt(DAVIDSON) = 8
Energy at sites (8, 9) is -107.199617421884
Stats: nIt(DAVIDSON) = 11
Energy at sites (7, 8) is -107.199617421892
Stats: nIt(DAVIDSON) = 18
Energy at sites (6, 7) is -107.199617421904
Stats: nIt(DAVIDSON) = 22
Energy at sites (5, 6) is -107.199617421912
Stats: nIt(DAVIDSON) = 13
Energy at sites (4, 5) is -107.199617421916
Stats: nIt(DAVIDSON) = 13
Energy at sites (3, 4) is -107.199617421918
Stats: nIt(DAVIDSON) = 10
Energy at sites (2, 3) is -107.199617421919
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.199617421919
******************************************************************
*** Information on left sweep 0 of instruction 1:
*** Elapsed wall time = 0.122814 seconds
*** |--> S.join = 0.00042 seconds
*** |--> S.solve = 0.101432 seconds
*** |--> S.split = 0.000898 seconds
*** |--> Tensor update = 0.019905 seconds
*** |--> create = 0.008769 seconds
*** |--> destroy = 0.00103 seconds
*** |--> disk write = 0.00433 seconds
*** |--> disk read = 0.002832 seconds
*** |--> calc = 0.002929 seconds
*** Disk write bandwidth = 194.267642966044 MB/s
*** Disk read bandwidth = 295.746797895701 MB/s
*** Minimum energy = -107.199617421919
*** Maximum discarded weight = 0
******************************************************************
Stats: nIt(DAVIDSON) = 1
Energy at sites (0, 1) is -107.199617421919
Stats: nIt(DAVIDSON) = 1
Energy at sites (1, 2) is -107.199617421919
Stats: nIt(DAVIDSON) = 1
Energy at sites (2, 3) is -107.199617421919
Stats: nIt(DAVIDSON) = 6
Energy at sites (3, 4) is -107.199617421919
Stats: nIt(DAVIDSON) = 8
Energy at sites (4, 5) is -107.199617421919
Stats: nIt(DAVIDSON) = 18
Energy at sites (5, 6) is -107.199617421919
Stats: nIt(DAVIDSON) = 10
Energy at sites (6, 7) is -107.199617421919
Stats: nIt(DAVIDSON) = 1
Energy at sites (7, 8) is -107.199617421919
******************************************************************
*** Information on right sweep 0 of instruction 1:
*** Elapsed wall time = 0.083184 seconds
*** |--> S.join = 0.000395 seconds
*** |--> S.solve = 0.061693 seconds
*** |--> S.split = 0.000864 seconds
*** |--> Tensor update = 0.020075 seconds
*** |--> create = 0.009082 seconds
*** |--> destroy = 0.001129 seconds
*** |--> disk write = 0.004201 seconds
*** |--> disk read = 0.002768 seconds
*** |--> calc = 0.002882 seconds
*** Disk write bandwidth = 199.370371730689 MB/s
*** Disk read bandwidth = 303.89410911957 MB/s
*** Minimum energy = -107.199617421919
*** Maximum discarded weight = 0
*** Energy difference with respect to previous leftright sweep = 4.3826275941683e-11
******************************************************************
*** Information on completed instruction 1:
*** The reduced virtual dimension DSU(2) = 1000
*** The total number of reduced MPS variables = 2254
*** Minimum energy encountered during all instructions = -107.199617421919
*** Minimum energy encountered during the last sweep = -107.199617421919
*** Maximum discarded weight during the last sweep = 0
******************************************************************
********************************************
*** 2-RDM and Correlations calculation ***
********************************************
N(N-1) = 182
Double trace of DMRG 2-RDM = 182
Econst + 0.5 * trace(2DM-A * Ham) = -107.199617421919
NOON of irrep Ag = [ 1.99998814651134 , 1.98924041567908 , 1.87687858044025 ].
NOON of irrep B2g = [ 0.139387811115674 ].
NOON of irrep B3g = [ 1.03112739661004 ].
NOON of irrep B1u = [ 1.99999431244151 , 1.10839164011703 , 0.0211636956959992 ].
NOON of irrep B2u = [ 1.96715797393501 ].
NOON of irrep B3u = [ 1.86667002745409 ].
Single-orbital entropies (Hamiltonian index order is used!) = [ 0.000149979997835859 , 0.0818410215415959 , 0.449623196730363 , 0.486645055144928 , 0.811029480976798 , 6.68868116311634e-05 , 0.96204661285445 , 0.112095070455231 , 0.167176148871099 , 0.475082460631629 ].
Idistance(0) = 2.38445939006053
Idistance(1) = 9.57998272787761
Idistance(2) = 47.8783646204452
***************************************************
*** Timing information 2-RDM and Correlations ***
***************************************************
*** Elapsed wall time = 0.049307 seconds
*** |--> MPS gauge change = 0.000487 seconds
*** |--> Diagram calc = 0.00354 seconds
*** |--> Tensor update = 0.044778 seconds
*** |--> create = 0.020337 seconds
*** |--> destroy = 0.001754 seconds
*** |--> disk write = 0.009159 seconds
*** |--> disk read = 0.006443 seconds
*** |--> calc = 0.007033 seconds
*** Disk write bandwidth = 186.22669828473 MB/s
*** Disk read bandwidth = 264.729214587901 MB/s
***************************************************
FCI::Startup : Number of variables in the FCI vector = 1182
FCI::Startup : Without additional loops the FCI matrix-vector product requires a workspace of 0.06982421875 MB memory.
FCI::matvec : Wall time = 0.004745 seconds
FCI::matvec : Wall time = 0.004513 seconds
FCI::matvec : Wall time = 0.004496 seconds
FCI::matvec : Wall time = 0.004594 seconds
FCI::matvec : Wall time = 0.00453 seconds
FCI::matvec : Wall time = 0.004491 seconds
FCI::matvec : Wall time = 0.004471 seconds
FCI::matvec : Wall time = 0.004478 seconds
FCI::matvec : Wall time = 0.00449 seconds
FCI::matvec : Wall time = 0.004522 seconds
FCI::matvec : Wall time = 0.004496 seconds
FCI::matvec : Wall time = 0.004457 seconds
FCI::matvec : Wall time = 0.004473 seconds
FCI::matvec : Wall time = 0.004464 seconds
FCI::matvec : Wall time = 0.004448 seconds
FCI::matvec : Wall time = 0.0045 seconds
FCI::matvec : Wall time = 0.004488 seconds
FCI::matvec : Wall time = 0.004525 seconds
FCI::matvec : Wall time = 0.00449 seconds
FCI::matvec : Wall time = 0.004487 seconds
FCI::matvec : Wall time = 0.004505 seconds
FCI::GSDavidson : Converged ground state energy = -107.199617421919
FCI::CalcSpinSquared : For intended spin 1 the measured S(S+1) = 2 and intended S(S+1) = 2
Info on DMRG::operators rm call to system: 0
RMS difference FCI and DMRG determinant coefficients = 0.0
RMS difference FCI and DMRG determinant coefficients = 0.0
RMS difference FCI and DMRG determinant coefficients = 0.0
RMS difference FCI and DMRG determinant coefficients = 0.0
RMS difference FCI and DMRG determinant coefficients = 0.0
RMS difference FCI and DMRG determinant coefficients = 0.0
================> Did test 1 succeed : yes
make[1]: Leaving directory '/<<PKGBUILDDIR>>'
create-stamp debian/debhelper-build-stamp
dh_prep
debian/rules override_dh_auto_install
make[1]: Entering directory '/<<PKGBUILDDIR>>'
dh_auto_install
cd obj-x86_64-linux-gnu && make -j4 install DESTDIR=/<<PKGBUILDDIR>>/debian/tmp AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true"
make[2]: Entering directory '/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu'
Install the project...
-- Install configuration: "release"
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2Config.cmake
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2ConfigVersion.cmake
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/share/cmake/CheMPS2/FindTargetHDF5.cmake
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/lib/x86_64-linux-gnu/libchemps2.so.3
-- Set non-toolchain portion of runtime path of "/<<PKGBUILDDIR>>/debian/tmp/usr/lib/x86_64-linux-gnu/libchemps2.so.3" to ""
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/lib/x86_64-linux-gnu/libchemps2.so
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/bin/chemps2
-- Set non-toolchain portion of runtime path of "/<<PKGBUILDDIR>>/debian/tmp/usr/bin/chemps2" to ""
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/lib/x86_64-linux-gnu/libchemps2.a
-- Up-to-date: /<<PKGBUILDDIR>>/debian/tmp/usr/bin/chemps2
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/Problem.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/DMRG.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/DMRGSCFintegrals.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/TensorT.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/Cumulant.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/CASSCF.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/DMRGSCFwtilde.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/DMRGSCFrotations.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/Special.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/Correlations.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/DMRGSCFunitary.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/DMRGSCFmatrix.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/MPIchemps2.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/Irreps.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/Heff.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/Tensor3RDM.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/Davidson.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/TensorQ.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/Hamiltonian.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/Options.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/TwoIndex.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/EdmistonRuedenberg.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/TensorF1.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/FCI.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/ThreeDM.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/TensorF0.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/TensorOperator.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/CASPT2.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/TensorGYZ.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/DMRGSCFindices.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/ConjugateGradient.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/DIIS.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/TensorS0.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/TensorO.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/Wigner.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/Lapack.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/Tensor.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/Excitation.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/ConvergenceScheme.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/Molden.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/DMRGSCFoptions.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/FourIndex.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/TwoDM.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/Sobject.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/TensorKM.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/TensorS1.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/SyBookkeeper.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/TensorL.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/Initialize.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/include/chemps2/TensorX.h
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2Targets-shared.cmake
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2Targets-shared-release.cmake
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2Targets-static.cmake
-- Installing: /<<PKGBUILDDIR>>/debian/tmp/usr/share/cmake/CheMPS2/CheMPS2Targets-static-release.cmake
make[2]: Leaving directory '/<<PKGBUILDDIR>>/obj-x86_64-linux-gnu'
# This will skip the build as it is already performed
cd PyCheMPS2 && CPATH=../CheMPS2/include:/usr/include/hdf5/serial python3 setup.py install --root=../debian/tmp --install-layout=deb
/usr/lib/python3/dist-packages/setuptools/_distutils/cmd.py:66: SetuptoolsDeprecationWarning: setup.py install is deprecated.
!!
********************************************************************************
Please avoid running ``setup.py`` directly.
Instead, use pypa/build, pypa/installer or other
standards-based tools.
See https://blog.ganssle.io/articles/2021/10/setup-py-deprecated.html for details.
********************************************************************************
!!
self.initialize_options()
dh_numpy3
make[1]: Leaving directory '/<<PKGBUILDDIR>>'
dh_install
dh_installdocs
debian/rules override_dh_installchangelogs
make[1]: Entering directory '/<<PKGBUILDDIR>>'
dh_installchangelogs -k CHANGELOG.md
make[1]: Leaving directory '/<<PKGBUILDDIR>>'
dh_installman
dh_python3
dh_lintian
dh_perl
dh_link
dh_strip_nondeterminism
dh_compress
dh_fixperms
dh_missing
dh_dwz -a
dh_strip -a
dh_makeshlibs -a
dpkg-gensymbols: warning: some new symbols appeared in the symbols file: see diff output below
dpkg-gensymbols: warning: debian/libchemps2-3t64/DEBIAN/symbols doesn't match completely debian/libchemps2-3t64.symbols
--- debian/libchemps2-3t64.symbols (libchemps2-3t64_1.8.12-3.1_amd64)
+++ dpkg-gensymbolsaCIW5o 2024-09-26 07:23:05.564000000 +0000
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(optional)_ZN7CheMPS216DMRGSCFrotations10close_fileElll@Base 1.8.7
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dh_shlibdeps -a
dh_installdeb
dh_gencontrol
dpkg-gencontrol: warning: Depends field of package chemps2-doc: substitution variable ${sphinxdoc:Depends} used, but is not defined
dpkg-gencontrol: warning: package chemps2-doc: substitution variable ${python3:Depends} unused, but is defined
dpkg-gencontrol: warning: package libchemps2-3t64: substitution variable ${python3:Depends} unused, but is defined
dpkg-gencontrol: warning: package libchemps2-3t64: substitution variable ${python3:Depends} unused, but is defined
dpkg-gencontrol: warning: package chemps2: substitution variable ${python3:Depends} unused, but is defined
dpkg-gencontrol: warning: Depends field of package libchemps2-dev: substitution variable ${shlibs:Depends} used, but is not defined
dpkg-gencontrol: warning: package libchemps2-dev: substitution variable ${python3:Depends} unused, but is defined
dpkg-gencontrol: warning: package chemps2: substitution variable ${python3:Depends} unused, but is defined
dh_md5sums
dh_builddeb
dpkg-deb: building package 'libchemps2-3t64' in '../libchemps2-3t64_1.8.12-3.1_amd64.deb'.
dpkg-deb: building package 'libchemps2-dev' in '../libchemps2-dev_1.8.12-3.1_amd64.deb'.
dpkg-deb: building package 'python3-chemps2' in '../python3-chemps2_1.8.12-3.1_amd64.deb'.
dpkg-deb: building package 'chemps2' in '../chemps2_1.8.12-3.1_amd64.deb'.
dpkg-deb: building package 'chemps2-dbgsym' in '../chemps2-dbgsym_1.8.12-3.1_amd64.deb'.
dpkg-deb: building package 'chemps2-doc' in '../chemps2-doc_1.8.12-3.1_all.deb'.
dpkg-deb: building package 'python3-chemps2-dbgsym' in '../python3-chemps2-dbgsym_1.8.12-3.1_amd64.deb'.
dpkg-deb: building package 'libchemps2-3t64-dbgsym' in '../libchemps2-3t64-dbgsym_1.8.12-3.1_amd64.deb'.
dpkg-genbuildinfo --build=binary -O../chemps2_1.8.12-3.1_amd64.buildinfo
dpkg-genchanges --build=binary -O../chemps2_1.8.12-3.1_amd64.changes
dpkg-genchanges: info: binary-only upload (no source code included)
dpkg-source --after-build .
dpkg-buildpackage: info: binary-only upload (no source included)
--------------------------------------------------------------------------------
Build finished at 2024-09-26T07:23:07Z
Finished
--------
I: Built successfully
+------------------------------------------------------------------------------+
| Changes |
+------------------------------------------------------------------------------+
chemps2_1.8.12-3.1_amd64.changes:
---------------------------------
Format: 1.8
Date: Wed, 28 Feb 2024 15:31:17 +0000
Source: chemps2
Binary: chemps2 chemps2-dbgsym chemps2-doc libchemps2-3t64 libchemps2-3t64-dbgsym libchemps2-dev python3-chemps2 python3-chemps2-dbgsym
Architecture: amd64 all
Version: 1.8.12-3.1
Distribution: sid
Urgency: medium
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Changed-By: Steve Langasek <vorlon@debian.org>
Description:
chemps2 - Executable to call libchemps2-3t64 from the command line
chemps2-doc - Documentation of the libchemps2-3t64 package
libchemps2-3t64 - Spin-adapted DMRG for ab initio quantum chemistry
libchemps2-dev - C++ headers, static library, and symlink for libchemps2-3t64
python3-chemps2 - Python 3 interface for libchemps2-3t64
Closes: 1062055
Changes:
chemps2 (1.8.12-3.1) unstable; urgency=medium
.
* Non-maintainer upload.
* Rename libraries for 64-bit time_t transition. Closes: #1062055
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+------------------------------------------------------------------------------+
| Buildinfo |
+------------------------------------------------------------------------------+
Format: 1.0
Source: chemps2
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Build-Origin: Debian
Build-Architecture: amd64
Build-Date: Thu, 26 Sep 2024 07:23:07 +0000
Build-Path: /<<PKGBUILDDIR>>
Build-Tainted-By:
merged-usr-via-aliased-dirs
Installed-Build-Depends:
autoconf (= 2.72-3),
automake (= 1:1.16.5-1.3),
autopoint (= 0.22.5-2),
autotools-dev (= 20220109.1),
base-files (= 13.5),
base-passwd (= 3.6.4),
bash (= 5.2.32-1+b1),
binutils (= 2.43.1-5),
binutils-common (= 2.43.1-5),
binutils-x86-64-linux-gnu (= 2.43.1-5),
bsdextrautils (= 2.40.2-8),
bsdutils (= 1:2.40.2-8),
build-essential (= 12.10),
bzip2 (= 1.0.8-6),
ca-certificates (= 20240203),
cmake (= 3.30.3-1),
cmake-data (= 3.30.3-1),
coreutils (= 9.4-3.1),
cpp (= 4:14.1.0-2),
cpp-14 (= 14.2.0-5),
cpp-14-x86-64-linux-gnu (= 14.2.0-5),
cpp-x86-64-linux-gnu (= 4:14.1.0-2),
cython3-legacy (= 0.29.37-2+b1),
dash (= 0.5.12-9),
debconf (= 1.5.87),
debhelper (= 13.20),
debianutils (= 5.20),
dh-autoreconf (= 20),
dh-python (= 6.20240824),
dh-strip-nondeterminism (= 1.14.0-1),
diffutils (= 1:3.10-1),
docutils-common (= 0.21.2+dfsg-2),
dpkg (= 1.22.11),
dpkg-dev (= 1.22.11),
dwz (= 0.15-1+b1),
file (= 1:5.45-3),
findutils (= 4.10.0-3),
fonts-mathjax (= 2.7.9+dfsg-1),
g++ (= 4:14.1.0-2),
g++-14 (= 14.2.0-5),
g++-14-x86-64-linux-gnu (= 14.2.0-5),
g++-x86-64-linux-gnu (= 4:14.1.0-2),
gcc (= 4:14.1.0-2),
gcc-14 (= 14.2.0-5),
gcc-14-base (= 14.2.0-5),
gcc-14-x86-64-linux-gnu (= 14.2.0-5),
gcc-x86-64-linux-gnu (= 4:14.1.0-2),
gettext (= 0.22.5-2),
gettext-base (= 0.22.5-2),
grep (= 3.11-4),
groff-base (= 1.23.0-5),
gzip (= 1.12-1.1),
hdf5-helpers (= 1.10.10+repack-4),
hostname (= 3.23+nmu2),
init-system-helpers (= 1.67),
intltool-debian (= 0.35.0+20060710.6),
libacl1 (= 2.3.2-2),
libaec-dev (= 1.1.3-1),
libaec0 (= 1.1.3-1),
libarchive-zip-perl (= 1.68-1),
libarchive13t64 (= 3.7.4-1),
libasan8 (= 14.2.0-5),
libatomic1 (= 14.2.0-5),
libattr1 (= 1:2.5.2-1),
libaudit-common (= 1:4.0.1-1),
libaudit1 (= 1:4.0.1-1),
libbinutils (= 2.43.1-5),
libblas-dev (= 3.12.0-3),
libblas3 (= 3.12.0-3),
libblkid1 (= 2.40.2-8),
libbrotli-dev (= 1.1.0-2+b4),
libbrotli1 (= 1.1.0-2+b4),
libbz2-1.0 (= 1.0.8-6),
libc-bin (= 2.40-3),
libc-dev-bin (= 2.40-3),
libc6 (= 2.40-3),
libc6-dev (= 2.40-3),
libcap-ng0 (= 0.8.5-2),
libcap2 (= 1:2.66-5),
libcc1-0 (= 14.2.0-5),
libcom-err2 (= 1.47.1-1),
libcrypt-dev (= 1:4.4.36-5),
libcrypt1 (= 1:4.4.36-5),
libctf-nobfd0 (= 2.43.1-5),
libctf0 (= 2.43.1-5),
libcurl4-openssl-dev (= 8.10.1-1),
libcurl4t64 (= 8.10.1-1),
libdb5.3t64 (= 5.3.28+dfsg2-7),
libdebconfclient0 (= 0.272),
libdebhelper-perl (= 13.20),
libdpkg-perl (= 1.22.11),
libelf1t64 (= 0.191-2),
libevent-2.1-7t64 (= 2.1.12-stable-10),
libexpat1 (= 2.6.3-1),
libexpat1-dev (= 2.6.3-1),
libffi8 (= 3.4.6-1),
libfile-stripnondeterminism-perl (= 1.14.0-1),
libgcc-14-dev (= 14.2.0-5),
libgcc-s1 (= 14.2.0-5),
libgdbm-compat4t64 (= 1.24-2),
libgdbm6t64 (= 1.24-2),
libgfortran5 (= 14.2.0-5),
libgmp-dev (= 2:6.3.0+dfsg-2+b1),
libgmp10 (= 2:6.3.0+dfsg-2+b1),
libgmpxx4ldbl (= 2:6.3.0+dfsg-2+b1),
libgnutls-dane0t64 (= 3.8.6-2),
libgnutls-openssl27t64 (= 3.8.6-2),
libgnutls28-dev (= 3.8.6-2),
libgnutls30t64 (= 3.8.6-2),
libgomp1 (= 14.2.0-5),
libgprofng0 (= 2.43.1-5),
libgssapi-krb5-2 (= 1.21.3-3),
libhdf5-103-1t64 (= 1.10.10+repack-4),
libhdf5-cpp-103-1t64 (= 1.10.10+repack-4),
libhdf5-dev (= 1.10.10+repack-4),
libhdf5-fortran-102t64 (= 1.10.10+repack-4),
libhdf5-hl-100t64 (= 1.10.10+repack-4),
libhdf5-hl-cpp-100t64 (= 1.10.10+repack-4),
libhdf5-hl-fortran-100t64 (= 1.10.10+repack-4),
libhogweed6t64 (= 3.10-1),
libhwasan0 (= 14.2.0-5),
libicu72 (= 72.1-5),
libidn2-0 (= 2.3.7-2),
libidn2-dev (= 2.3.7-2),
libisl23 (= 0.27-1),
libitm1 (= 14.2.0-5),
libjansson4 (= 2.14-2+b2),
libjpeg-dev (= 1:2.1.5-3),
libjpeg62-turbo (= 1:2.1.5-3),
libjpeg62-turbo-dev (= 1:2.1.5-3),
libjs-jquery (= 3.6.1+dfsg+~3.5.14-1),
libjs-mathjax (= 2.7.9+dfsg-1),
libjs-sphinxdoc (= 7.4.7-3),
libjs-underscore (= 1.13.4~dfsg+~1.11.4-3),
libjson-perl (= 4.10000-1),
libjsoncpp25 (= 1.9.5-6+b2),
libk5crypto3 (= 1.21.3-3),
libkeyutils1 (= 1.6.3-3),
libkrb5-3 (= 1.21.3-3),
libkrb5support0 (= 1.21.3-3),
liblapack-dev (= 3.12.0-3),
liblapack3 (= 3.12.0-3),
libldap-2.5-0 (= 2.5.18+dfsg-3),
liblsan0 (= 14.2.0-5),
liblz4-1 (= 1.9.4-3),
liblzma5 (= 5.6.2-2),
libmagic-mgc (= 1:5.45-3),
libmagic1t64 (= 1:5.45-3),
libmd0 (= 1.1.0-2),
libmount1 (= 2.40.2-8),
libmpc3 (= 1.3.1-1+b2),
libmpfr6 (= 4.2.1-1+b1),
libncursesw6 (= 6.5-2),
libnettle8t64 (= 3.10-1),
libnghttp2-14 (= 1.63.0-1),
libnghttp2-dev (= 1.63.0-1),
libnsl2 (= 1.3.0-3+b2),
libp11-kit-dev (= 0.25.5-2),
libp11-kit0 (= 0.25.5-2),
libpam-modules (= 1.5.3-7),
libpam-modules-bin (= 1.5.3-7),
libpam-runtime (= 1.5.3-7),
libpam0g (= 1.5.3-7),
libpcre2-8-0 (= 10.42-4+b1),
libperl5.38t64 (= 5.38.2-5),
libpipeline1 (= 1.5.8-1),
libpkgconf3 (= 1.8.1-3),
libproc2-0 (= 2:4.0.4-5),
libpsl-dev (= 0.21.2-1.1),
libpsl5t64 (= 0.21.2-1.1),
libpython3-dev (= 3.12.6-1),
libpython3-stdlib (= 3.12.6-1),
libpython3.12-dev (= 3.12.6-1),
libpython3.12-minimal (= 3.12.6-1),
libpython3.12-stdlib (= 3.12.6-1),
libpython3.12t64 (= 3.12.6-1),
libquadmath0 (= 14.2.0-5),
libreadline8t64 (= 8.2-5),
librhash0 (= 1.4.3-3+b1),
librtmp-dev (= 2.4+20151223.gitfa8646d.1-2+b4),
librtmp1 (= 2.4+20151223.gitfa8646d.1-2+b4),
libsasl2-2 (= 2.1.28+dfsg1-8),
libsasl2-modules-db (= 2.1.28+dfsg1-8),
libseccomp2 (= 2.5.5-1+b1),
libselinux1 (= 3.7-3),
libsframe1 (= 2.43.1-5),
libsmartcols1 (= 2.40.2-8),
libsqlite3-0 (= 3.46.1-1),
libssh2-1-dev (= 1.11.0-7),
libssh2-1t64 (= 1.11.0-7),
libssl-dev (= 3.3.2-1),
libssl3t64 (= 3.3.2-1),
libstdc++-14-dev (= 14.2.0-5),
libstdc++6 (= 14.2.0-5),
libsystemd0 (= 256.6-1),
libsz2 (= 1.1.3-1),
libtasn1-6 (= 4.19.0-3+b2),
libtasn1-6-dev (= 4.19.0-3+b2),
libtinfo6 (= 6.5-2),
libtirpc-common (= 1.3.4+ds-1.3),
libtirpc3t64 (= 1.3.4+ds-1.3),
libtool (= 2.4.7-7),
libtsan2 (= 14.2.0-5),
libubsan1 (= 14.2.0-5),
libuchardet0 (= 0.0.8-1+b1),
libudev1 (= 256.6-1),
libunbound8 (= 1.20.0-1+b1),
libunistring5 (= 1.2-1),
libuuid1 (= 2.40.2-8),
libuv1t64 (= 1.48.0-6),
libxml2 (= 2.12.7+dfsg-3+b1),
libxxhash0 (= 0.8.2-2+b1),
libzstd-dev (= 1.5.6+dfsg-1),
libzstd1 (= 1.5.6+dfsg-1),
linux-libc-dev (= 6.10.11-1),
m4 (= 1.4.19-4),
make (= 4.3-4.1),
man-db (= 2.13.0-1),
mawk (= 1.3.4.20240905-1),
media-types (= 10.1.0),
ncurses-base (= 6.5-2),
ncurses-bin (= 6.5-2),
netbase (= 6.4),
nettle-dev (= 3.10-1),
openssl (= 3.3.2-1),
openssl-provider-legacy (= 3.3.2-1),
patch (= 2.7.6-7),
perl (= 5.38.2-5),
perl-base (= 5.38.2-5),
perl-modules-5.38 (= 5.38.2-5),
pkgconf (= 1.8.1-3),
pkgconf-bin (= 1.8.1-3),
po-debconf (= 1.0.21+nmu1),
procps (= 2:4.0.4-5),
python-babel-localedata (= 2.14.0-1),
python3 (= 3.12.6-1),
python3-alabaster (= 0.7.16-0.1),
python3-all (= 3.12.6-1),
python3-autocommand (= 2.2.2-3),
python3-babel (= 2.14.0-1),
python3-certifi (= 2024.8.30-1),
python3-chardet (= 5.2.0+dfsg-1),
python3-charset-normalizer (= 3.3.2-4),
python3-defusedxml (= 0.7.1-2),
python3-docutils (= 0.21.2+dfsg-2),
python3-idna (= 3.8-2),
python3-imagesize (= 1.4.1-1),
python3-inflect (= 7.3.1-2),
python3-jaraco.context (= 6.0.0-1),
python3-jaraco.functools (= 4.0.2-1),
python3-jinja2 (= 3.1.3-1),
python3-markupsafe (= 2.1.5-1+b1),
python3-minimal (= 3.12.6-1),
python3-more-itertools (= 10.4.0-1),
python3-numpy (= 1:2.1.1+ds-3),
python3-numpy-dev (= 1:2.1.1+ds-3),
python3-packaging (= 24.1-1),
python3-pkg-resources (= 74.1.2-2),
python3-pygments (= 2.18.0+dfsg-1),
python3-requests (= 2.32.3+dfsg-1),
python3-roman (= 4.2-1),
python3-setuptools (= 74.1.2-2),
python3-snowballstemmer (= 2.2.0-4),
python3-sphinx (= 7.4.7-3),
python3-typeguard (= 4.3.0-1),
python3-typing-extensions (= 4.12.2-2),
python3-urllib3 (= 2.0.7-2),
python3-zipp (= 3.20.2-1),
python3-zombie-imp (= 0.0.2-2),
python3.12 (= 3.12.6-1),
python3.12-minimal (= 3.12.6-1),
readline-common (= 8.2-5),
rpcsvc-proto (= 1.4.3-1),
sed (= 4.9-2),
sensible-utils (= 0.0.24),
sgml-base (= 1.31),
sphinx-common (= 7.4.7-3),
sysvinit-utils (= 3.10-2),
tar (= 1.35+dfsg-3),
tzdata (= 2024a-4),
util-linux (= 2.40.2-8),
xml-core (= 0.19),
xz-utils (= 5.6.2-2),
zlib1g (= 1:1.3.dfsg+really1.3.1-1),
zlib1g-dev (= 1:1.3.dfsg+really1.3.1-1)
Environment:
DEB_BUILD_OPTIONS="parallel=4"
LANG="C.UTF-8"
LC_COLLATE="C.UTF-8"
LC_CTYPE="C.UTF-8"
SOURCE_DATE_EPOCH="1709134277"
+------------------------------------------------------------------------------+
| Package contents |
+------------------------------------------------------------------------------+
chemps2-dbgsym_1.8.12-3.1_amd64.deb
-----------------------------------
new Debian package, version 2.0.
size 136692 bytes: control archive=528 bytes.
358 bytes, 12 lines control
106 bytes, 1 lines md5sums
Package: chemps2-dbgsym
Source: chemps2
Version: 1.8.12-3.1
Auto-Built-Package: debug-symbols
Architecture: amd64
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size: 158
Depends: chemps2 (= 1.8.12-3.1)
Section: debug
Priority: optional
Description: debug symbols for chemps2
Build-Ids: 9eaa7c336955aae348cc0844518bc33224a8701b
drwxr-xr-x root/root 0 2024-02-28 15:31 ./
drwxr-xr-x root/root 0 2024-02-28 15:31 ./usr/
drwxr-xr-x root/root 0 2024-02-28 15:31 ./usr/lib/
drwxr-xr-x root/root 0 2024-02-28 15:31 ./usr/lib/debug/
drwxr-xr-x root/root 0 2024-02-28 15:31 ./usr/lib/debug/.build-id/
drwxr-xr-x root/root 0 2024-02-28 15:31 ./usr/lib/debug/.build-id/9e/
-rw-r--r-- root/root 151296 2024-02-28 15:31 ./usr/lib/debug/.build-id/9e/aa7c336955aae348cc0844518bc33224a8701b.debug
drwxr-xr-x root/root 0 2024-02-28 15:31 ./usr/share/
drwxr-xr-x root/root 0 2024-02-28 15:31 ./usr/share/doc/
lrwxrwxrwx root/root 0 2024-02-28 15:31 ./usr/share/doc/chemps2-dbgsym -> chemps2
chemps2-doc_1.8.12-3.1_all.deb
------------------------------
new Debian package, version 2.0.
size 507060 bytes: control archive=2616 bytes.
1544 bytes, 34 lines control
4753 bytes, 56 lines md5sums
Package: chemps2-doc
Source: chemps2
Version: 1.8.12-3.1
Architecture: all
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size: 1024
Section: doc
Priority: optional
Multi-Arch: foreign
Homepage: https://sebwouters.github.io/CheMPS2/index.html
Description: Documentation of the libchemps2-3t64 package
chemps2 is a scientific library which contains a spin-adapted
implementation of the density matrix renormalization group (DMRG)
for ab initio quantum chemistry. This wavefunction method allows one
to obtain numerical accuracy in active spaces beyond the capabilities
of full configuration interaction (FCI), and allows one to extract
the 2-, 3-, and 4-particle reduced density matrices (2-, 3- and 4-RDM)
of the active space.
.
For general active spaces up to 40 electrons in 40 orbitals can be
handled with DMRG, and for one-dimensional active spaces up to 100
electrons in 100 orbitals. The 2-RDM of these active spaces can
also be easily extracted, while the 3- and 4-RDM are limited to
about 28 orbitals.
.
When the active space size becomes prohibitively expensive for FCI,
DMRG can be used to replace the FCI solver in the complete active
space self consistent field (CASSCF) method and the corresponding
complete active space second order perturbation theory (CASPT2).
The corresponding methods are called DMRG-SCF and DMRG-CASPT2,
respectively. For DMRG-SCF the active space 2-RDM is required, and
for DMRG-CASPT2 the active space 4-RDM.
.
This is the common documentation package.
drwxr-xr-x root/root 0 2024-02-28 15:31 ./
drwxr-xr-x root/root 0 2024-02-28 15:31 ./usr/
drwxr-xr-x root/root 0 2024-02-28 15:31 ./usr/share/
drwxr-xr-x root/root 0 2024-02-28 15:31 ./usr/share/doc-base/
-rw-r--r-- root/root 282 2024-01-16 07:45 ./usr/share/doc-base/chemps2-doc.libchemps2-doc
drwxr-xr-x root/root 0 2024-02-28 15:31 ./usr/share/doc/
drwxr-xr-x root/root 0 2024-02-28 15:31 ./usr/share/doc/chemps2-doc/
lrwxrwxrwx root/root 0 2024-02-28 15:31 ./usr/share/doc/chemps2-doc/CHANGELOG.md.gz -> changelog.gz
-rw-r--r-- root/root 1218 2024-02-28 15:31 ./usr/share/doc/chemps2-doc/changelog.Debian.gz
-rw-r--r-- root/root 1594 2022-03-09 21:16 ./usr/share/doc/chemps2-doc/changelog.gz
-rw-r--r-- root/root 1275 2024-01-16 07:45 ./usr/share/doc/chemps2-doc/copyright
drwxr-xr-x root/root 0 2024-02-28 15:31 ./usr/share/doc/libchemps2/
drwxr-xr-x root/root 0 2024-02-28 15:31 ./usr/share/doc/libchemps2/html/
drwxr-xr-x root/root 0 2024-02-28 15:31 ./usr/share/doc/libchemps2/html/_images/
-rw-r--r-- root/root 6810 2024-02-28 15:31 ./usr/share/doc/libchemps2/html/_images/Comparison.png
-rw-r--r-- root/root 8378 2024-02-28 15:31 ./usr/share/doc/libchemps2/html/_images/ComparisonN2.png
-rw-r--r-- root/root 11679 2024-02-28 15:31 ./usr/share/doc/libchemps2/html/_images/ExtrapolationN2reorder.png
-rw-r--r-- root/root 31417 2022-03-09 21:16 ./usr/share/doc/libchemps2/html/_images/handson_comparison.png
-rw-r--r-- root/root 297382 2024-02-28 15:31 ./usr/share/doc/libchemps2/html/_images/handson_orbitals.png
-rw-r--r-- root/root 24403 2024-02-28 15:31 ./usr/share/doc/libchemps2/html/_images/multi_node_h2o.png
-rw-r--r-- root/root 35238 2024-02-28 15:31 ./usr/share/doc/libchemps2/html/_images/polyene_scaling.png
-rw-r--r-- root/root 23985 2024-02-28 15:31 ./usr/share/doc/libchemps2/html/_images/single_node_h2o.png
drwxr-xr-x root/root 0 2024-02-28 15:31 ./usr/share/doc/libchemps2/html/_sources/
-rw-r--r-- root/root 11546 2022-03-09 21:16 ./usr/share/doc/libchemps2/html/_sources/caspt2.rst.txt
-rw-r--r-- root/root 6847 2022-03-09 21:16 ./usr/share/doc/libchemps2/html/_sources/dmrgscf.rst.txt
-rw-r--r-- root/root 8024 2022-03-09 21:16 ./usr/share/doc/libchemps2/html/_sources/dmrgscfcalcs.rst.txt
-rw-r--r-- root/root 22187 2022-03-09 21:16 ./usr/share/doc/libchemps2/html/_sources/handson.rst.txt
-rw-r--r-- root/root 2834 2022-03-09 21:16 ./usr/share/doc/libchemps2/html/_sources/index.rst.txt
-rw-r--r-- root/root 16296 2022-03-09 21:16 ./usr/share/doc/libchemps2/html/_sources/inoutput.rst.txt
-rw-r--r-- root/root 5221 2022-03-09 21:16 ./usr/share/doc/libchemps2/html/_sources/interfaces.rst.txt
-rw-r--r-- root/root 8681 2022-03-09 21:16 ./usr/share/doc/libchemps2/html/_sources/matrixelements.rst.txt
-rw-r--r-- root/root 5650 2022-03-09 21:16 ./usr/share/doc/libchemps2/html/_sources/method.rst.txt
-rw-r--r-- root/root 4083 2022-03-09 21:16 ./usr/share/doc/libchemps2/html/_sources/publications.rst.txt
-rw-r--r-- root/root 9984 2022-03-09 21:16 ./usr/share/doc/libchemps2/html/_sources/resources.rst.txt
-rw-r--r-- root/root 9355 2022-03-09 21:16 ./usr/share/doc/libchemps2/html/_sources/sourcecode.rst.txt
-rw-r--r-- root/root 4024 2022-03-09 21:16 ./usr/share/doc/libchemps2/html/_sources/symmetry.rst.txt
drwxr-xr-x root/root 0 2024-02-28 15:31 ./usr/share/doc/libchemps2/html/_static/
-rw-r--r-- root/root 14409 2024-02-28 15:31 ./usr/share/doc/libchemps2/html/_static/CheMPS2logo.png
-rw-r--r-- root/root 15094 2024-02-28 15:31 ./usr/share/doc/libchemps2/html/_static/basic.css
-rw-r--r-- root/root 4302 2024-02-28 15:31 ./usr/share/doc/libchemps2/html/_static/classic.css
-rw-r--r-- root/root 28 2024-02-28 15:31 ./usr/share/doc/libchemps2/html/_static/default.css
-rw-r--r-- root/root 4472 2024-02-28 15:31 ./usr/share/doc/libchemps2/html/_static/doctools.js
-rw-r--r-- root/root 342 2024-02-28 15:31 ./usr/share/doc/libchemps2/html/_static/documentation_options.js
-rw-r--r-- root/root 286 2024-02-28 15:31 ./usr/share/doc/libchemps2/html/_static/file.png
-rw-r--r-- root/root 4758 2024-02-28 15:31 ./usr/share/doc/libchemps2/html/_static/language_data.js
-rw-r--r-- root/root 90 2024-02-28 15:31 ./usr/share/doc/libchemps2/html/_static/minus.png
-rw-r--r-- root/root 90 2024-02-28 15:31 ./usr/share/doc/libchemps2/html/_static/plus.png
-rw-r--r-- root/root 4929 2024-02-28 15:31 ./usr/share/doc/libchemps2/html/_static/pygments.css
-rw-r--r-- root/root 20842 2024-02-28 15:31 ./usr/share/doc/libchemps2/html/_static/searchtools.js
-rw-r--r-- root/root 2540 2024-02-28 15:31 ./usr/share/doc/libchemps2/html/_static/sidebar.js
-rw-r--r-- root/root 5123 2024-02-28 15:31 ./usr/share/doc/libchemps2/html/_static/sphinx_highlight.js
-rw-r--r-- root/root 23684 2024-02-28 15:31 ./usr/share/doc/libchemps2/html/caspt2.html
-rw-r--r-- root/root 16253 2024-02-28 15:31 ./usr/share/doc/libchemps2/html/dmrgscf.html
-rw-r--r-- root/root 24964 2024-02-28 15:31 ./usr/share/doc/libchemps2/html/dmrgscfcalcs.html
-rw-r--r-- root/root 7954 2024-02-28 15:31 ./usr/share/doc/libchemps2/html/genindex.html
-rw-r--r-- root/root 65273 2024-02-28 15:31 ./usr/share/doc/libchemps2/html/handson.html
-rw-r--r-- root/root 13177 2024-02-28 15:31 ./usr/share/doc/libchemps2/html/index.html
-rw-r--r-- root/root 42633 2024-02-28 15:31 ./usr/share/doc/libchemps2/html/inoutput.html
-rw-r--r-- root/root 30400 2024-02-28 15:31 ./usr/share/doc/libchemps2/html/interfaces.html
-rw-r--r-- root/root 27806 2024-02-28 15:31 ./usr/share/doc/libchemps2/html/matrixelements.html
-rw-r--r-- root/root 11283 2024-02-28 15:31 ./usr/share/doc/libchemps2/html/method.html
-rw-r--r-- root/root 1070 2024-02-28 15:31 ./usr/share/doc/libchemps2/html/objects.inv
-rw-r--r-- root/root 10651 2024-02-28 15:31 ./usr/share/doc/libchemps2/html/publications.html
-rw-r--r-- root/root 18354 2024-02-28 15:31 ./usr/share/doc/libchemps2/html/resources.html
-rw-r--r-- root/root 3332 2024-02-28 15:31 ./usr/share/doc/libchemps2/html/search.html
-rw-r--r-- root/root 36993 2024-02-28 15:31 ./usr/share/doc/libchemps2/html/searchindex.js
-rw-r--r-- root/root 24437 2024-02-28 15:31 ./usr/share/doc/libchemps2/html/sourcecode.html
-rw-r--r-- root/root 9283 2024-02-28 15:31 ./usr/share/doc/libchemps2/html/symmetry.html
lrwxrwxrwx root/root 0 2024-02-28 15:31 ./usr/share/doc/libchemps2/rst -> html/_sources
chemps2_1.8.12-3.1_amd64.deb
----------------------------
new Debian package, version 2.0.
size 28460 bytes: control archive=1376 bytes.
1826 bytes, 38 lines control
327 bytes, 5 lines md5sums
Package: chemps2
Version: 1.8.12-3.1
Architecture: amd64
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size: 86
Depends: libc6 (>= 2.38), libchemps2-3t64 (= 1.8.12-3.1), libgcc-s1 (>= 3.3.1), libstdc++6 (>= 13.1)
Suggests: chemps2-doc
Breaks: libchemps2-1 (<< 1.7-1~)
Replaces: libchemps2-1 (<< 1.7-1~)
Section: science
Priority: optional
Homepage: https://sebwouters.github.io/CheMPS2/index.html
Description: Executable to call libchemps2-3t64 from the command line
chemps2 is a scientific library which contains a spin-adapted
implementation of the density matrix renormalization group (DMRG)
for ab initio quantum chemistry. This wavefunction method allows one
to obtain numerical accuracy in active spaces beyond the capabilities
of full configuration interaction (FCI), and allows one to extract
the 2-, 3-, and 4-particle reduced density matrices (2-, 3- and 4-RDM)
of the active space.
.
For general active spaces up to 40 electrons in 40 orbitals can be
handled with DMRG, and for one-dimensional active spaces up to 100
electrons in 100 orbitals. The 2-RDM of these active spaces can
also be easily extracted, while the 3- and 4-RDM are limited to
about 28 orbitals.
.
When the active space size becomes prohibitively expensive for FCI,
DMRG can be used to replace the FCI solver in the complete active
space self consistent field (CASSCF) method and the corresponding
complete active space second order perturbation theory (CASPT2).
The corresponding methods are called DMRG-SCF and DMRG-CASPT2,
respectively. For DMRG-SCF the active space 2-RDM is required, and
for DMRG-CASPT2 the active space 4-RDM.
.
This package installs the executable which parses Hamiltonians in
fcidump format, performs DMRG-SCF and DMRG-CASPT2 calculations as
specified by the user.
drwxr-xr-x root/root 0 2024-02-28 15:31 ./
drwxr-xr-x root/root 0 2024-02-28 15:31 ./usr/
drwxr-xr-x root/root 0 2024-02-28 15:31 ./usr/bin/
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libchemps2-3t64-dbgsym_1.8.12-3.1_amd64.deb
-------------------------------------------
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libchemps2-3t64_1.8.12-3.1_amd64.deb
------------------------------------
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Version: 1.8.12-3.1
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Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Installed-Size: 1612
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Suggests: chemps2-doc
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Replaces: libchemps2-3
Provides: libchemps2-3 (= 1.8.12-3.1)
Section: libs
Priority: optional
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Homepage: https://sebwouters.github.io/CheMPS2/index.html
Description: Spin-adapted DMRG for ab initio quantum chemistry
chemps2 is a scientific library which contains a spin-adapted
implementation of the density matrix renormalization group (DMRG)
for ab initio quantum chemistry. This wavefunction method allows one
to obtain numerical accuracy in active spaces beyond the capabilities
of full configuration interaction (FCI), and allows one to extract
the 2-, 3-, and 4-particle reduced density matrices (2-, 3- and 4-RDM)
of the active space.
.
For general active spaces up to 40 electrons in 40 orbitals can be
handled with DMRG, and for one-dimensional active spaces up to 100
electrons in 100 orbitals. The 2-RDM of these active spaces can
also be easily extracted, while the 3- and 4-RDM are limited to
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.
When the active space size becomes prohibitively expensive for FCI,
DMRG can be used to replace the FCI solver in the complete active
space self consistent field (CASSCF) method and the corresponding
complete active space second order perturbation theory (CASPT2).
The corresponding methods are called DMRG-SCF and DMRG-CASPT2,
respectively. For DMRG-SCF the active space 2-RDM is required, and
for DMRG-CASPT2 the active space 4-RDM.
drwxr-xr-x root/root 0 2024-02-28 15:31 ./
drwxr-xr-x root/root 0 2024-02-28 15:31 ./usr/
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libchemps2-dev_1.8.12-3.1_amd64.deb
-----------------------------------
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Package: libchemps2-dev
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Installed-Size: 496
Depends: libchemps2-3t64 (= 1.8.12-3.1)
Suggests: chemps2-doc
Section: libdevel
Priority: optional
Homepage: https://sebwouters.github.io/CheMPS2/index.html
Description: C++ headers, static library, and symlink for libchemps2-3t64
chemps2 is a scientific library which contains a spin-adapted
implementation of the density matrix renormalization group (DMRG)
for ab initio quantum chemistry. This wavefunction method allows one
to obtain numerical accuracy in active spaces beyond the capabilities
of full configuration interaction (FCI), and allows one to extract
the 2-, 3-, and 4-particle reduced density matrices (2-, 3- and 4-RDM)
of the active space.
.
For general active spaces up to 40 electrons in 40 orbitals can be
handled with DMRG, and for one-dimensional active spaces up to 100
electrons in 100 orbitals. The 2-RDM of these active spaces can
also be easily extracted, while the 3- and 4-RDM are limited to
about 28 orbitals.
.
When the active space size becomes prohibitively expensive for FCI,
DMRG can be used to replace the FCI solver in the complete active
space self consistent field (CASSCF) method and the corresponding
complete active space second order perturbation theory (CASPT2).
The corresponding methods are called DMRG-SCF and DMRG-CASPT2,
respectively. For DMRG-SCF the active space 2-RDM is required, and
for DMRG-CASPT2 the active space 4-RDM.
.
This package installs the C++ headers, static library, and symlink
for libchemps2.
drwxr-xr-x root/root 0 2024-02-28 15:31 ./
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lrwxrwxrwx root/root 0 2024-02-28 15:31 ./usr/lib/x86_64-linux-gnu/libchemps2.so -> libchemps2.so.3
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python3-chemps2-dbgsym_1.8.12-3.1_amd64.deb
-------------------------------------------
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399 bytes, 13 lines control
106 bytes, 1 lines md5sums
Package: python3-chemps2-dbgsym
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python3-chemps2_1.8.12-3.1_amd64.deb
------------------------------------
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1750 bytes, 36 lines control
649 bytes, 7 lines md5sums
Package: python3-chemps2
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Installed-Size: 313
Depends: python3-numpy2-abi0 | python3-numpy-abi9, python3 (<< 3.13), python3 (>= 3.12~), libc6 (>= 2.14), libchemps2-3t64 (= 1.8.12-3.1), libgcc-s1 (>= 3.0), libstdc++6 (>= 5.2)
Suggests: chemps2-doc
Section: python
Priority: optional
Multi-Arch: same
Homepage: https://sebwouters.github.io/CheMPS2/index.html
Description: Python 3 interface for libchemps2-3t64
chemps2 is a scientific library which contains a spin-adapted
implementation of the density matrix renormalization group (DMRG)
for ab initio quantum chemistry. This wavefunction method allows one
to obtain numerical accuracy in active spaces beyond the capabilities
of full configuration interaction (FCI), and allows one to extract
the 2-, 3-, and 4-particle reduced density matrices (2-, 3- and 4-RDM)
of the active space.
.
For general active spaces up to 40 electrons in 40 orbitals can be
handled with DMRG, and for one-dimensional active spaces up to 100
electrons in 100 orbitals. The 2-RDM of these active spaces can
also be easily extracted, while the 3- and 4-RDM are limited to
about 28 orbitals.
.
When the active space size becomes prohibitively expensive for FCI,
DMRG can be used to replace the FCI solver in the complete active
space self consistent field (CASSCF) method and the corresponding
complete active space second order perturbation theory (CASPT2).
The corresponding methods are called DMRG-SCF and DMRG-CASPT2,
respectively. For DMRG-SCF the active space 2-RDM is required, and
for DMRG-CASPT2 the active space 4-RDM.
.
This package installs the library for Python 3.
drwxr-xr-x root/root 0 2024-02-28 15:31 ./
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lintian
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Get:1 copy:/<<RESOLVERDIR>>/apt_archive ./ sbuild-build-depends-lintian-dummy 0.invalid.0 [856 B]
debconf: delaying package configuration, since apt-utils is not installed
Fetched 856 B in 0s (0 B/s)
Selecting previously unselected package sbuild-build-depends-lintian-dummy.
(Reading database ... 37349 files and directories currently installed.)
Preparing to unpack .../sbuild-build-depends-lintian-dummy_0.invalid.0_amd64.deb ...
Unpacking sbuild-build-depends-lintian-dummy (0.invalid.0) ...
Setting up sbuild-build-depends-lintian-dummy (0.invalid.0) ...
Running lintian...
Warning in processable chemps2_1.8.12-3.1.dsc: Argument "v0.902.0" isn't numeric in numeric lt (<) at /usr/share/lintian/lib/Lintian/Check/Debian/Upstream/Metadata.pm line 106.
E: python3-chemps2: missing-dependency-on-numpy-abi
E: libchemps2-dev: no-code-sections [usr/lib/x86_64-linux-gnu/libchemps2.a]
E: libchemps2-3t64: symbols-file-contains-current-version-with-debian-revision on symbol _ZN7CheMPS216DMRGSCFrotations9open_fileEPlS1_S1_iiNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE@Base (libchemps2.so.3) [symbols]
W: chemps2 changes: distribution-and-changes-mismatch sid unstable
W: chemps2-doc: embedded-javascript-library please use sphinx [usr/share/doc/libchemps2/html/_static/doctools.js]
W: chemps2-doc: embedded-javascript-library please use sphinx [usr/share/doc/libchemps2/html/_static/language_data.js]
W: chemps2-doc: embedded-javascript-library please use sphinx [usr/share/doc/libchemps2/html/_static/searchtools.js]
W: chemps2 source: test-leaves-python-version-untested [debian/tests/bintest]
W: chemps2 source: test-leaves-python-version-untested [debian/tests/libtest]
W: chemps2 source: test-leaves-python-version-untested [debian/tests/pytest]
E: Lintian run failed (runtime error)
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| Post Build |
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+------------------------------------------------------------------------------+
| Cleanup |
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Purging /<<BUILDDIR>>
Not cleaning session: cloned chroot in use
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| Summary |
+------------------------------------------------------------------------------+
Build Architecture: amd64
Build Type: binary
Build-Space: 93356
Build-Time: 54
Distribution: sid
Host Architecture: amd64
Install-Time: 35
Job: /tmp/debusine-fetch-exec-upload-ka3ei1lb/chemps2_1.8.12-3.1.dsc
Lintian: error
Machine Architecture: amd64
Package: chemps2
Package-Time: 106
Source-Version: 1.8.12-3.1
Space: 93356
Status: successful
Version: 1.8.12-3.1
--------------------------------------------------------------------------------
Finished at 2024-09-26T07:23:07Z
Build needed 00:01:46, 93356k disk space