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author | Anton Kudelin | 2022-02-08 13:11:23 +0200 |
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committer | Anton Kudelin | 2022-02-08 13:11:23 +0200 |
commit | b396e9accd21fb4ec6f14059869de6bcc1568c01 (patch) | |
tree | 8de3b6aace55c5b5f882e2f7edbc61a0e6aac698 /PKGBUILD | |
parent | ec9592ccce5e73b2784fba02aff41d027010176e (diff) | |
download | aur-b396e9accd21fb4ec6f14059869de6bcc1568c01.tar.gz |
updpkg: 1.7.0
Diffstat (limited to 'PKGBUILD')
-rwxr-xr-x | PKGBUILD | 14 |
1 files changed, 7 insertions, 7 deletions
@@ -1,8 +1,8 @@ # Maintainer: Anton Kudelin <kudelin at protonmail dot com> pkgname=jdftx -pkgver=1.6.0 -pkgrel=2 +pkgver=1.7.0 +pkgrel=1 pkgdesc="Software for joint density functional theory" arch=('x86_64') url="http://jdftx.org" @@ -11,15 +11,15 @@ depends=('gsl' 'fftw' 'libxc' 'scalapack' 'hdf5-openmpi' 'python') makedepends=('cmake') optdepends=('cuda: NVIDIA GPU support') source=("$pkgname-$pkgver.tar.gz::https://github.com/shankar1729/$pkgname/archive/v$pkgver.tar.gz") -sha256sums=('5f65a09235927fe18b547734d3de5f623561ddef795321df088e224a737ea817') +sha256sums=('876374efbf785d02fdf547f7cf64deedc6f5618f5449e775a4c20b28f1696e3d') prepare() { mkdir "$srcdir/$pkgname-$pkgver/build" export LIBXC_PATH=/usr export JDFTX_LAUNCH="mpirun -np 2" - # Enable CUDA if nvcc is in $PATH - if [ $( echo -n $( which nvcc) | tail -c 4 ) == nvcc ] + # Enable CUDA if nvcc is available + if command -v nvcc &> /dev/null then export ACC=ON export JDFTX_SUFFIX="_gpu" @@ -34,6 +34,7 @@ build() { cmake ../$pkgname \ -DCMAKE_INSTALL_PREFIX=/usr \ -DEnableScaLAPACK=ON \ + -DForceScaLAPACK=ON \ -DEnableHDF5=ON \ -DEnableLibXC=ON \ -DEnableMKL=OFF \ @@ -42,8 +43,7 @@ build() { -DLinkTimeOptimization=ON \ -DEnableCUDA=$ACC \ -DEnableCuSolver=$ACC \ - -DCudaAwareMPI=$ACC \ - -DCUDA_NVCC_FLAGS="-O3 -ccbin /opt/cuda/bin" + -DCudaAwareMPI=$ACC make } |