PKGBUILD.txt

# Maintainer: Dan Maftei <dan.maftei@chem.uaic.ro>
pkgname='python-pyscf'
pkgver=1.5.0
pkgrel=1
pkgdesc="Python module for quantum chemistry"
provides=('python-pyscf')
arch=('x86_64')
url="https://github.com/sunqm/pyscf"
source=("https://github.com/sunqm/pyscf/archive/v${pkgver}.tar.gz")
md5sums=('fc60ad711603a642aff2067d3740beb4')
sha256sums=('1b68a57b48c9c6b81e35cb346c04cc5b988109e104f10391e975f01e4ddbe81f')

license=('BSD')
depends=('python' 'python-numpy' 'python-scipy' 'python-h5py')
makedepends=('cmake')

build() {
    cd ${srcdir}/pyscf-${pkgver}/pyscf/lib
    mkdir build && cd build && cmake .. && make ${MAKEFLAGS}
}

package() {
    cd ${srcdir}/pyscf-${pkgver}
    python setup.py install --root="$pkgdir" --optimize=1
}