diff options
| -rw-r--r-- | .SRCINFO | 6 | ||||
| -rw-r--r-- | PKGBUILD | 72 |
2 files changed, 39 insertions, 39 deletions
@@ -1,6 +1,6 @@ pkgbase = sirius pkgdesc = Domain specific library for electronic structure calculations - pkgver = 6.5.3 + pkgver = 6.5.4 pkgrel = 1 url = https://github.com/electronic-structure/SIRIUS arch = x86_64 @@ -15,8 +15,8 @@ pkgbase = sirius depends = hdf5 optdepends = cuda: Linear algebra on GPU options = !emptydirs - source = https://github.com/electronic-structure/SIRIUS/archive/v6.5.3.tar.gz - sha256sums = eae0c303f332425a8c792d4455dca62557931b28a5df8b4c242652d5ffddd580 + source = sirius-6.5.4.tar.gz::https://github.com/electronic-structure/SIRIUS/archive/v6.5.4.tar.gz + sha256sums = 5f731926b882a567d117afa5e0ed33291f1db887fce52f371ba51f014209b85d pkgname = sirius @@ -2,7 +2,7 @@ pkgname=sirius _PkgName=SIRIUS -pkgver=6.5.3 +pkgver=6.5.4 pkgrel=1 pkgdesc="Domain specific library for electronic structure calculations" arch=('x86_64') @@ -11,48 +11,48 @@ url="https://github.com/electronic-structure/SIRIUS" depends=('libvdwxc' 'libxc' 'spglib' 'elpa' 'spfft' 'gsl' 'hdf5') makedepends=('cmake') optdepends=('cuda: Linear algebra on GPU') -source=("$url/archive/v$pkgver.tar.gz") -sha256sums=('eae0c303f332425a8c792d4455dca62557931b28a5df8b4c242652d5ffddd580') +source=("$pkgname-$pkgver.tar.gz::$url/archive/v$pkgver.tar.gz") +sha256sums=('5f731926b882a567d117afa5e0ed33291f1db887fce52f371ba51f014209b85d') options=(!emptydirs) prepare() { - mkdir $srcdir/build - - # Checking if nvcc is in PATH - if [[ $( echo -n $( which nvcc) | tail -c 4 ) == nvcc && \ - -e /usr/lib/libmagma.so ]] - then - export _ACC=ON - export LDFLAGS="$LDFLAGS -L/opt/cuda/lib64" - echo "GPU is enabled" - else - export _ACC=OFF - echo "GPU is disabled" - fi - - # Finding ELPA version - _ELPAVER=$( ls /usr/include | grep elpa | sed 's/elpa_openmp-//g' ) + mkdir "$srcdir/build" + + # Checking if nvcc is in PATH + if [[ $( echo -n $( which nvcc) | tail -c 4 ) == nvcc && \ + -e /usr/lib/libmagma.so ]] + then + export _ACC=ON + export LDFLAGS="$LDFLAGS -L/opt/cuda/lib64" + echo "GPU is enabled" + else + export _ACC=OFF + echo "GPU is disabled" + fi + + # Finding ELPA version + _ELPAVER=$( ls /usr/include | grep elpa | sed 's/elpa_openmp-//g' ) } build() { - cd $srcdir/build - cmake ../$_PkgName-$pkgver \ - -DCMAKE_INSTALL_PREFIX=/usr \ - -DCREATE_FORTRAN_BINDINGS=ON \ - -DUSE_OPENMP=ON \ - -DUSE_SCALAPACK=ON \ - -DUSE_CUDA=$_ACC \ - -DUSE_VDWXC=ON \ - -DUSE_ELPA=ON \ - -DELPA_INCLUDE_DIR=/usr/include/elpa_openmp-$_ELPAVER/elpa - make + cd "$srcdir/build" + cmake ../$_PkgName-$pkgver \ + -DCMAKE_INSTALL_PREFIX=/usr \ + -DCREATE_FORTRAN_BINDINGS=ON \ + -DUSE_OPENMP=ON \ + -DUSE_SCALAPACK=ON \ + -DUSE_CUDA=$_ACC \ + -DUSE_VDWXC=ON \ + -DUSE_ELPA=ON \ + -DELPA_INCLUDE_DIR=/usr/include/elpa_openmp-$_ELPAVER + make } package() { - cd $srcdir/build - install -dm755 $pkgdir/usr/share/licenses/$pkgname - install ../$_PkgName-$pkgver/LICENSE $pkgdir/usr/share/licenses/$pkgname - make DESTDIR=$pkgdir install - install -m755 $srcdir/build/src/mod_files/*.mod $pkgdir/usr/include/sirius - mv $pkgdir/usr/bin/atom $pkgdir/usr/bin/sirius_atom + cd "$srcdir/build" + install -dm755 "$pkgdir/usr/share/licenses/$pkgname" + install ../$_PkgName-$pkgver/LICENSE "$pkgdir/usr/share/licenses/$pkgname" + make DESTDIR="$pkgdir" install + install -m755 src/mod_files/*.mod "$pkgdir/usr/include/sirius" + mv "$pkgdir/usr/bin/atom" "$pkgdir/usr/bin/sirius_atom" } |