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author | a.kudelin | 2020-11-09 00:19:25 +0300 |
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committer | a.kudelin | 2020-11-09 00:19:25 +0300 |
commit | 231dfa359781c62d3e0f9f46490fedb89f077768 (patch) | |
tree | 2ad4de72f5e8c12a49620ac3542b181364782131 | |
download | aur-231dfa359781c62d3e0f9f46490fedb89f077768.tar.gz |
Initial import
-rw-r--r-- | .SRCINFO | 18 | ||||
-rw-r--r-- | PKGBUILD | 46 |
2 files changed, 64 insertions, 0 deletions
diff --git a/.SRCINFO b/.SRCINFO new file mode 100644 index 000000000000..59b0f466d22d --- /dev/null +++ b/.SRCINFO @@ -0,0 +1,18 @@ +pkgbase = fleur + pkgdesc = A full-potential linearized augmented planewave code + pkgver = 0.31 + pkgrel = 1 + url = https://www.flapw.de + arch = x86_64 + license = MIT + makedepends = cmake + makedepends = gcc-fortran + depends = libxml2 + depends = hdf5 + depends = spfft + depends = scalapack + source = https://www.flapw.de/pm/uploads/FLEUR/fleurMaX4.tgz + sha256sums = 96c6907786ea2d321ab90ab6cb4edd8d96368552f5c7f7852f08ffc75b019cb4 + +pkgname = fleur + 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 +} |