1 files changed, 46 insertions, 0 deletions
diff --git a/PKGBUILD b/PKGBUILD
new file mode 100644
index 000000000000..5a203b05e2ab
--- /dev/null
+++ b/PKGBUILD
@@ -0,0 +1,46 @@
+# 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
+}