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| author | Hector Mtz-Seara | 2021-05-20 16:12:04 +0200 |
|---|---|---|
| committer | Hector Mtz-Seara | 2021-05-20 16:12:04 +0200 |
| commit | 7bd66833b18b3d50c8cdb22ba76f546abc71bbe1 (patch) | |
| tree | 51d4c4ed606afab7f68a196915ae0b998ab02006 | |
| parent | c27c068890a138229c664df93ada8aa1c5c7a9be (diff) | |
| download | aur-7bd66833b18b3d50c8cdb22ba76f546abc71bbe1.tar.gz | |
Removed CUDA as default
| -rw-r--r-- | .SRCINFO | 3 | ||||
| -rw-r--r-- | PKGBUILD | 12 |
2 files changed, 8 insertions, 7 deletions
@@ -1,7 +1,7 @@ pkgbase = gromacs pkgdesc = A versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. pkgver = 2021.2 - pkgrel = 2 + pkgrel = 3 url = http://www.gromacs.org/ arch = x86_64 license = LGPL @@ -11,6 +11,7 @@ pkgbase = gromacs depends = lapack depends = zlib depends = hwloc + depends = gcc10 optdepends = cuda: Nvidia GPU support optdepends = vmd: Accesibility to other trajectory formats (ONLY WHEN COMPILING) optdepends = perl: needed for demux.pl and xplor2gmx.pl @@ -3,12 +3,12 @@ pkgname=gromacs pkgver=2021.2 -pkgrel=2 +pkgrel=3 pkgdesc='A versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles.' url='http://www.gromacs.org/' license=("LGPL") arch=('x86_64') -depends=('lapack' 'zlib' 'hwloc') +depends=('lapack' 'zlib' 'hwloc' 'gcc10') optdepends=('cuda: Nvidia GPU support' 'vmd: Accesibility to other trajectory formats (ONLY WHEN COMPILING)' 'perl: needed for demux.pl and xplor2gmx.pl' @@ -24,9 +24,9 @@ export VMDDIR=/usr/lib/vmd/ #If vmd is available at compilation time #trajectory file format that can be read by #VMD installation (e.g. AMBER's DCD format). -#For cuda support gccXXX is required, if you do not need cuda support comment the next two lines -#export CC=gcc-XXX -#export CXX=g++-XXX +#For cuda support gcc10 is required, if you do not need cuda support comment the next two lines +#export CC=gcc-10 +#export CXX=g++-10 build() { mkdir -p ${srcdir}/{single,double} @@ -48,9 +48,9 @@ build() { -DCMAKE_INSTALL_PREFIX=/usr/ \ -DCMAKE_INSTALL_LIBDIR=lib\ -DGMX_BUILD_OWN_FFTW=ON \ - -DGMX_GPU=CUDA \ -DREGRESSIONTEST_DOWNLOAD=ON #GMX_GPU: Framework for GPU acceleration. Pick one of: OFF, CUDA, OpenCL, SYCL + # -DGMX_GPU=CUDA \ make } |