%FILENAME%
python-cclib-2.0a1-1-any.pkg.tar.zst

%NAME%
python-cclib

%BASE%
python-cclib

%VERSION%
2.0a1-1

%DESC%
A library for parsing and interpreting the results of computational chemistry packages.

%CSIZE%
675703

%ISIZE%
4206144

%SHA256SUM%
d8e5d0e3200afec9c08dfb0395f42dc871d39c9075144a7f8045190c423b287f

%URL%
http://cclib.github.io

%LICENSE%
BSD-3-Clause

%ARCH%
any

%BUILDDATE%
1738989010

%PACKAGER%
BioArchLinux (on behalf of kuoi) <kuoi@bioarchlinux.org>

%DEPENDS%
python-packaging
python-periodictable
python-scipy

%OPTDEPENDS%
psi4: for Psi4 bridge
python-ase: for ASE bridge
python-biopython: for generating `BioPython.Atom`s of parsed results
python-iodata: for reading proatom densities from horton
python-openbabel: for generating `OBMol`s of results
python-pandas: for generating DataFrames of parsed results
python-pyquante2: for computing grid-based quantities with cube output
python-pyscf: for PySCF bridge

%MAKEDEPENDS%
python-build
python-installer
python-setuptools
python-versioningit
python-wheel

