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# Maintainer: Anton Kudelin <kudelin at proton dot me>
pkgname=siesta
pkgver=5.0.0
pkgrel=1
pkgdesc="A first-principles materials simulation code using DFT"
arch=(x86_64 aarch64)
url="https://siesta-project.org/siesta/About/overview.html"
license=(GPL-3.0-only)
depends=(elpa metis fftw python libxc)
makedepends=(gcc-fortran ninja)
source=(https://gitlab.com/siesta-project/siesta/-/archive/$pkgver/$pkgname-$pkgver.tar.bz2)
sha256sums=('1ae1b6a50e6bad8503799bd55ce41de6851c243aacea48c3816d99ef996e9b0a')
prepare() {
# Handling ELPA
_elpaver=$( ls /usr/include | grep elpa | sed 's/elpa_openmp-//g' )
}
build() {
cd "$srcdir"
cmake \
-B build \
-S $pkgname-$pkgver \
-D CMAKE_INSTALL_PREFIX=/usr \
-D CMAKE_EXE_LINKER_FLAGS="-lelpa_openmp -lscalapack -lmpi" \
-D SIESTA_WITH_ELPA=ON \
-D SIESTA_WITH_OPENMP=ON \
-D ELPA_INCLUDE_DIRS="/usr/include/elpa_openmp-$_elpaver/elpa;/usr/include/elpa_openmp-$_elpaver/modules" \
-D ELPA_LINK_LIBRARIES="-lelpa_openmp" \
-G Ninja \
-W no-dev
cmake --build build
}
check() {
cd "$srcdir/build"
ctest
}
package() {
cd "$srcdir"
DESTDIR="$pkgdir" cmake --install build
}
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