.SRCINFO


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pkgbase = python-cclib
	pkgdesc = A library for parsing and interpreting the results of computational chemistry packages.
	pkgver = 1.8
	pkgrel = 1
	url = http://cclib.github.io
	arch = any
	license = BSD-3-Clause
	makedepends = python-setuptools
	depends = python-importlib-metadata
	depends = python-packaging
	depends = python-periodictable
	depends = python-scipy
	optdepends = python-openbabel: for generating `OBMol`s of results
	optdepends = python-biopython: for generating `BioPython.Atom`s of parsed results
	optdepends = python-pandas: for generating DataFrames of parsed results
	optdepends = psi4: for Psi4 bridge
	optdepends = python-ase: for ASE bridge
	optdepends = python-h5py: for reading proatom densities from horton
	optdepends = python-pyscf: for PySCF bridge
	source = https://github.com/cclib/cclib/archive/v1.8.tar.gz
	sha256sums = 8b4c4b0f43168374e7aa4e3b433f0b1d0c443dbb73562ab09e705d7c4e61c5e2

pkgname = python-cclib