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pkgbase = python-qcengine
pkgdesc = Quantum chemistry program executor and IO standardizer (QCSchema) for quantum chemistry
pkgver = 0.30.0
pkgrel = 2
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 = python-optking
optdepends = python-pyberny
optdepends = rdkit
optdepends = xtb
source = https://github.com/MolSSI/QCEngine/archive/v0.30.0.tar.gz
sha256sums = 896c690fa82a5f65b6d702775ac61606dc54050f8642f0c04b6497c5f9bdca62
pkgname = python-qcengine
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