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# Maintainer: Eric Berquist <eric dot berquist at gmail dot com>
_name="QCElemental"
_pkgname="qcelemental"
pkgname="python-${_pkgname}"
pkgver=0.18.0
pkgrel=1
pkgdesc="Periodic table, physical constants, and molecule parsing for quantum chemistry"
arch=("any")
url="https://qcelemental-docs.helpmanual.io/"
license=("MIT")
depends=("python-numpy" "python-pint" "python-pydantic")
makedepends=("python-setuptools")
optdepends=("python-networkx")
checkdepends=("python-pytest")
source=("https://github.com/MolSSI/${_pkgname}/archive/v${pkgver}.tar.gz")
sha256sums=('10bab4edc76dbf9ab53677dfeaefbd5ab0e003d7fa030f30f960c1c17bdd930e')
build() {
cd "${srcdir}"/"${_name}"-"${pkgver}"
python setup.py build
}
package() {
cd "${srcdir}/${_name}-${pkgver}"
python setup.py install --root="${pkgdir}"/ --optimize=1 --skip-build
install -Dm644 LICENSE "${pkgdir}"/usr/share/licenses/"${pkgname}"/LICENSE
}
check() {
cd "${srcdir}/${_name}-${pkgver}"
pytest -v ${_pkgname}/
}
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