deb_control_files:
- control
- md5sums
- postinst
- prerm
deb_fields:
Architecture: amd64
Depends: python3 (<< 3.12), python3 (>= 3.11~), python3-matplotlib (>= 1.5~), python3-monty
(>= 3.0.2~), python3-networkx (>= 2.2~), python3-numpy (>= 1.20.1~), python3-palettable
(>= 3.1.1~), python3-pandas (>= 1.1.3~), python3-plotly (>= 4.5.0~), python3-pybtex
(>= 0.22.2~), python3-requests (>= 2.24.0~), python3-ruamel.yaml (>= 0.16.12~),
python3-scipy (>= 1.5.2~), python3-spglib (>= 2.0.2~), python3-sympy (>= 1.6.2~),
python3-tabulate (>= 0.8.7~), python3-tqdm (>= 4.41.0~), python3-uncertainties
(>= 3.1.4~), python3:any, libc6 (>= 2.14)
Description: |-
Python Materials Genomics for materials analysis
Pymatgen (Python Materials Genomics) is a robust, open-source Python
library for materials analysis. These are some of the main features:
.
1.Highly flexible classes for the representation of Element, Site,
Molecule, Structure objects.
.
2. Extensive input/output support, including support for VASP
(http://cms.mpi.univie.ac.at/vasp/), ABINIT (http://www.abinit.org/),
CIF, Gaussian, XYZ, and many other file formats.
.
3. Powerful analysis tools, including generation of phase diagrams,
Pourbaix diagrams, diffusion analyses, reactions, etc.
.
4. Electronic structure analyses, such as density of states and band
structure.
.
5. Integration with the Materials Project REST API, Crystallography
Open Database.
.
This package provides the pymtgen module for Python 3.
Homepage: https://pymatgen.org/
Installed-Size: '15016'
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Package: python3-pymatgen
Priority: optional
Recommends: python3-openbabel, python3-mp-api
Section: python
Source: pymatgen
Suggests: python-pymatgen-doc
Version: 2022.11.7+dfsg1-11+deb12u1
srcpkg_name: pymatgen
srcpkg_version: 2022.11.7+dfsg1-11+deb12u1