Artifact python3-qcengine_0.29.0-1_all

deb_control_files:
- control
- md5sums
- postinst
- prerm
deb_fields:
  Architecture: all
  Depends: python3-cpuinfo, python3-psutil, python3-pydantic (>= 1.8.2), python3-qcelemental
    (>= 0.23.0), python3-yaml, python3:any
  Description: |-
    Quantum chemistry program executor and IO standardizer
     QCEngine provides a wrapper to ingest and produce QCSchema for a variety of
     quantum chemistry programs, most notably Psi4, NWchem, RDKit and Mopac.
     .
     Other supported (possibly proprietary) packages include DFTD3, MOLPRO, MPD2,
     OpenMM, Q-Chem, Turbomole, xtb, CFour, GAMESS, Terachem and TorchANI.
  Homepage: https://github.com/MolSSI/QCEngine
  Installed-Size: '1815'
  Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
  Package: python3-qcengine
  Priority: optional
  Section: python
  Source: qcengine
  Version: 0.29.0-1
srcpkg_name: qcengine
srcpkg_version: 0.29.0-1