.SRCINFO


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pkgbase = python-qcengine
	pkgdesc = Quantum chemistry program executor and IO standardizer (QCSchema) for quantum chemistry
	pkgver = 0.29.0
	pkgrel = 1
	url = http://docs.qcarchive.molssi.org/projects/QCEngine/en/stable/
	arch = any
	license = MIT
	checkdepends = python-msgpack
	checkdepends = python-pytest
	makedepends = python-setuptools
	depends = python-qcelemental
	depends = python-py-cpuinfo
	depends = python-psutil
	optdepends = dftd3
	optdepends = dftd4
	optdepends = gamess
	optdepends = mopac
	optdepends = mrchem
	optdepends = nwchem
	optdepends = openmm
	optdepends = psi4
	optdepends = rdkit
	optdepends = xtb
	source = https://github.com/MolSSI/QCEngine/archive/v0.29.0.tar.gz
	sha256sums = 7d84cff53077345282cdf438e8ddfef8d006ed722a3fd0d2c25e2d7ff4e69cf9

pkgname = python-qcengine