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# Maintainer: Anton Kudelin <kudelin at protonmail dot com>
pkgname=fleur
pkgver=0.31
_pkgver=MaX4
pkgrel=1
pkgdesc="A full-potential linearized augmented planewave code"
arch=("x86_64")
url="https://www.flapw.de"
license=('MIT')
depends=('libxml2' 'hdf5' 'spfft' 'scalapack')
makedepends=('cmake' 'gcc-fortran')
source=("$url/pm/uploads/FLEUR/${pkgname}${_pkgver}.tgz")
sha256sums=('96c6907786ea2d321ab90ab6cb4edd8d96368552f5c7f7852f08ffc75b019cb4')
prepare() {
LIBMPI=$( mpifort -show | sed "s@.*-L@-L@g" )
MPIINC="-I/usr/include -pthread -I/usr/lib/openmpi"
mkdir "$srcdir/build"
}
build() {
cd "$srcdir/build"
cmake ../$pkgname \
-DCMAKE_INSTALL_PREFIX=/usr \
-DCMAKE_Fortran_FLAGS="$MPIINC -I/usr/include/spfft -O3 -march=native -fallow-argument-mismatch" \
-DCMAKE_EXE_LINKER_FLAGS="-lblas -lscalapack $LIBMPI -lspfft" \
-DLAPACK_LIBRARIES="-llapack" \
-DFLEUR_USE_MPI=TRUE \
-DFLEUR_USE_SCALAPACK=TRUE \
-DFLEUR_USE_SPFFT=TRUE
make
}
check() {
cd "$srcdir/build"
make test
}
package() {
cd "$pkgdir"
install -dm755 usr/{bin,share/licenses/$pkgname}
install -m755 "$srcdir/build/fleur_MPI" usr/bin
install -m755 "$srcdir/build/inpgen" usr/bin
install -m755 "$srcdir/$pkgname/LICENSE" usr/share/licenses/$pkgname
}
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