diff options
Diffstat (limited to 'PKGBUILD')
| -rw-r--r-- | PKGBUILD | 14 |
1 files changed, 11 insertions, 3 deletions
@@ -3,13 +3,16 @@ pkgname=gromacs-5.0-complete pkgver=5.0.7 -pkgrel=4 +pkgrel=5 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=('i686' 'x86_64') -depends=('fftw' 'perl' 'libxml2' 'libsm') -makedepends=('cmake') +depends=('gcc5') +optdepends=('cuda: Nvidia GPU support' + 'openmotif: needed for gmx view' + 'libx11: needed for gmx view') +makedepends=('cmake' 'libxml2') options=('!libtool') source=(ftp://ftp.gromacs.org/pub/gromacs/gromacs-${pkgver}.tar.gz GMXRC.bash.cmakein.patch) @@ -20,6 +23,10 @@ export VMDDIR=/usr/lib/vmd/ #If vmd is available at compilation time #Gromacs will have the ability to read any #trajectory file format that can be read by #VMD installation (e.g. AMBER's DCD format). +#With gcc5 currently there are less errors in the tests +# also the compilation is possible in cuda capable machines +export CC=gcc-5 +export CXX=g++-5 prepare() { cd ${srcdir}/gromacs-${pkgver}/scripts/ @@ -56,6 +63,7 @@ build() { -DBUILD_SHARED_LIBS=ON \ -DGMX_X11=ON \ -DREGRESSIONTEST_DOWNLOAD=ON \ + -DCMAKE_CXX_FLAGS="-std=c++11" \ -DCMAKE_INSTALL_LIBDIR=lib make } |