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1 files changed, 31 insertions, 0 deletions

diff --git a/PKGBUILD b/PKGBUILD
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+# Maintainer: Eric Berquist <eric dot berquist at gmail dot com>
+
+_name="QCEngine"
+_pkgname="qcengine"
+pkgname="python-${_pkgname}"
+pkgver=0.11.0
+pkgrel=1
+pkgdesc="Quantum chemistry program executor and IO standardizer (QCSchema) for quantum chemistry"
+arch=("any")
+url="http://docs.qcarchive.molssi.org/projects/QCEngine/en/stable/"
+license=("MIT")
+depends=("python-qcelemental" "python-py-cpuinfo" "python-psutil")
+checkdepends=("python-pytest-cov")
+source=("https://github.com/MolSSI/${_pkgname}/archive/v${pkgver}.tar.gz")
+sha256sums=('0d1e2e5464f02b8bb0446f8f929428a440a406a652df48b1dc8b41dd95efbd5b')
+
+build() {
+  cd "${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}-${pkgver}"
+  pytest -rsx -v --cov=${_pkgname}/ ${_pkgname}/
+}