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Source: qcelemental
Section: python
Priority: optional
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Uploaders: Michael Banck <mbanck@debian.org>
Build-Depends: debhelper (>= 10),
dh-python,
pybuild-plugin-pyproject,
python3-all (>= 3.6),
python3-certifi,
python3-numpy,
python3-pint,
python3-poetry,
python3-pydantic,
python3-pytest,
python3-pytest-cov,
python3-setuptools
Standards-Version: 4.1.3
Homepage: https://github.com/MolSSI/QCElemental
Vcs-Browser: https://salsa.debian.org/debichem-team/qcelemental
Vcs-Git: https://salsa.debian.org/debichem-team/qcelemental.git
Package: python3-qcelemental
Section: python
Architecture: all
Depends: ${python3:Depends},
${shlibs:Depends},
${misc:Depends},
python3-pint
Description: Periodic table, physical constants, and molecule parsing for quantum chemistry
QCElemental is a resource module for quantum chemistry containing physical
constants and periodic table data from NIST CODATA and molecule handlers.
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