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# Maintainer: Simon Pintarelli <simon.pintarelli@cscs.ch>
pkgname=sirius-git
_pkgname=sirius
pkgver=7.4.3.r43.gd433c14
pkgrel=1
pkgdesc="Domain specific library for electronic structure calculations"
arch=(x86_64)
url="https://github.com/electronic-structure/SIRIUS"
license=('GPL')
depends=(gcc-libs glibc costa gsl spfft spla fftw libxc scalapack blas-openblas spglib hdf5 python-h5py python-mpi4py python-numpy python-scipy python-matplotlib)
optdepends=('cuda: GPU support')
makedepends=(cmake git)
provides=('sirius')
options=('staticlibs')
source=("${pkgname%-*}::git+https://github.com/electronic-structure/SIRIUS.git#branch=develop")
sha256sums=('SKIP')
pkgver() {
cd "$_pkgname"
git describe --long --tags --abbrev=7 | sed 's/^v//;s/\([^-]*-g\)/r\1/;s/-/./g'
}
prepare() {
# copied from spfft recipe (A. Kudelin)
# Checking if nvcc is in PATH
if command -v nvcc &> /dev/null
then
export _ACC=CUDA
echo "GPU is enabled"
else
export _ACC=OFF
echo "GPU is disabled"
fi
}
build() {
cd "$srcdir/${_pkgname}"
mkdir -p build
cd build
cmake -DCMAKE_INSTALL_PREFIX=/usr \
-DCMAKE_INSTALL_LIBDIR=lib \
-DCREATE_PYTHON_MODULE=On \
-DUSE_SCALAPACK=On \
-DUSE_CUDA="$_ACC" \
-DUSE_MEMORY_POOL=Off \
-DCREATE_FORTRAN_BINDINGS=On \
-DCMAKE_BUILD_TYPE=RELEASE ../
make -j
}
package() {
cd "$srcdir/${_pkgname}"
cd build
make DESTDIR="$pkgdir/" install
}
# vim:set ts=2 sw=2 et:
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