diff options
| -rw-r--r-- | .SRCINFO | 8 | ||||
| -rwxr-xr-x | PKGBUILD | 14 |
2 files changed, 11 insertions, 11 deletions
@@ -1,7 +1,7 @@ pkgbase = jdftx pkgdesc = Software for joint density functional theory - pkgver = 1.6.0 - pkgrel = 2 + pkgver = 1.7.0 + pkgrel = 1 url = http://jdftx.org arch = x86_64 license = GPL @@ -13,7 +13,7 @@ pkgbase = jdftx depends = hdf5-openmpi depends = python optdepends = cuda: NVIDIA GPU support - source = jdftx-1.6.0.tar.gz::https://github.com/shankar1729/jdftx/archive/v1.6.0.tar.gz - sha256sums = 5f65a09235927fe18b547734d3de5f623561ddef795321df088e224a737ea817 + source = jdftx-1.7.0.tar.gz::https://github.com/shankar1729/jdftx/archive/v1.7.0.tar.gz + sha256sums = 876374efbf785d02fdf547f7cf64deedc6f5618f5449e775a4c20b28f1696e3d pkgname = jdftx @@ -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 } |