.SRCINFO


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pkgbase = python-cclib-git
	pkgdesc = A library for parsing and interpreting the results of computational chemistry packages. (git version)
	pkgver = 1.8.2.r4861.21f75e95
	pkgrel = 1
	url = http://cclib.github.io
	arch = any
	license = BSD-3-Clause
	checkdepends = psi4
	checkdepends = python-biopython
	checkdepends = python-iodata
	checkdepends = python-pyquante2
	checkdepends = python-pyscf
	checkdepends = python-pytest
	makedepends = git
	makedepends = python-build
	makedepends = python-installer
	makedepends = python-setuptools
	makedepends = python-versioningit
	makedepends = python-wheel
	depends = python-packaging
	depends = python-periodictable
	depends = python-scipy
	optdepends = psi4: for Psi4 bridge
	optdepends = python-ase: for ASE bridge
	optdepends = python-biopython: for generating `BioPython.Atom`s of parsed results
	optdepends = python-iodata: for reading proatom densities from horton
	optdepends = python-openbabel: for generating `OBMol`s of results
	optdepends = python-pandas: for generating DataFrames of parsed results
	optdepends = python-pyquante2: for computing grid-based quantities with cube output
	optdepends = python-pyscf: for PySCF bridge
	provides = python-cclib
	conflicts = python-cclib
	source = git+https://github.com/cclib/cclib
	sha256sums = SKIP

pkgname = python-cclib-git