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authorAnton Kudelin2022-11-20 20:31:59 +0200
committerAnton Kudelin2022-11-20 20:31:59 +0200
commitd5afd650b2c414e373e185f56e67e9ac09ee17cf (patch)
tree5c33eed4343f42da04fe60645a1d88da8684e61d
parent231dfa359781c62d3e0f9f46490fedb89f077768 (diff)
downloadaur-d5afd650b2c414e373e185f56e67e9ac09ee17cf.tar.gz
updpkg: 6.1
-rw-r--r--.SRCINFO12
-rw-r--r--PKGBUILD41
2 files changed, 21 insertions, 32 deletions
diff --git a/.SRCINFO b/.SRCINFO
index 59b0f466d22d..473bfc0283eb 100644
--- a/.SRCINFO
+++ b/.SRCINFO
@@ -1,18 +1,20 @@
pkgbase = fleur
pkgdesc = A full-potential linearized augmented planewave code
- pkgver = 0.31
+ pkgver = 6.1
pkgrel = 1
url = https://www.flapw.de
arch = x86_64
license = MIT
makedepends = cmake
makedepends = gcc-fortran
+ makedepends = python
+ makedepends = vim
depends = libxml2
depends = hdf5
- depends = spfft
depends = scalapack
- source = https://www.flapw.de/pm/uploads/FLEUR/fleurMaX4.tgz
- sha256sums = 96c6907786ea2d321ab90ab6cb4edd8d96368552f5c7f7852f08ffc75b019cb4
+ depends = libxc
+ depends = fftw
+ source = https://iffgit.fz-juelich.de/fleur/fleur/-/archive/MaX-R6.1/fleur-MaX-R6.1.tar.bz2
+ sha256sums = f15f7c0b5af262b79f3dc699199767cc33d73463ec574a4e377cf576e491218b
pkgname = fleur
-
diff --git a/PKGBUILD b/PKGBUILD
index 5a203b05e2ab..0cbcdea0d8ba 100644
--- a/PKGBUILD
+++ b/PKGBUILD
@@ -1,46 +1,33 @@
# Maintainer: Anton Kudelin <kudelin at protonmail dot com>
pkgname=fleur
-pkgver=0.31
-_pkgver=MaX4
+pkgver=6.1
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}${_pkgver}.tgz")
-sha256sums=('96c6907786ea2d321ab90ab6cb4edd8d96368552f5c7f7852f08ffc75b019cb4')
+depends=('libxml2' 'hdf5' 'scalapack' 'libxc' 'fftw')
+makedepends=('cmake' 'gcc-fortran' 'python' 'vim')
+source=("https://iffgit.fz-juelich.de/fleur/fleur/-/archive/MaX-R$pkgver/$pkgname-MaX-R$pkgver.tar.bz2")
+sha256sums=('f15f7c0b5af262b79f3dc699199767cc33d73463ec574a4e377cf576e491218b')
prepare() {
- LIBMPI=$( mpifort -show | sed "s@.*-L@-L@g" )
- MPIINC="-I/usr/include -pthread -I/usr/lib/openmpi"
- mkdir "$srcdir/build"
+ mkdir -p "$srcdir/build"
}
build() {
cd "$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 $LIBMPI -lspfft" \
- -DLAPACK_LIBRARIES="-llapack" \
- -DFLEUR_USE_MPI=TRUE \
- -DFLEUR_USE_SCALAPACK=TRUE \
- -DFLEUR_USE_SPFFT=TRUE
+ cmake ../$pkgname-MaX-R$pkgver \
+ -DCMAKE_INSTALL_PREFIX=/usr \
+ -DCMAKE_C_COMPILER=mpicc \
+ -DCMAKE_Fortran_COMPILER=mpifort
make
}
-check() {
- cd "$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/$pkgname
+ cd "$srcdir/build"
+ make DESTDIR="$pkgdir" install
+ install -Dm755 "$srcdir/$pkgname-MaX-R$pkgver/LICENSE" \
+ "$pkgdir/usr/share/licenses/$pkgname/LICENSE"
}