diff options
Diffstat (limited to 'PKGBUILD')
| -rw-r--r-- | PKGBUILD | 41 |
1 files changed, 21 insertions, 20 deletions
@@ -2,12 +2,12 @@ pkgname=gromacs-4.6-complete pkgver=4.6.7 -pkgrel=5 +pkgrel=7 pkgdesc='GROMACS is 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=("GPL") arch=('i686' 'x86_64') -depends=('fftw' 'openmotif' 'perl' 'libxml2' 'libsm' 'libx11' 'doxygen') +depends=('gcc5' 'fftw' 'perl' 'libxml2' 'libsm' 'doxygen') options=('!libtool') source=(ftp://ftp.gromacs.org/pub/gromacs/gromacs-${pkgver}.tar.gz GMXRC.bash.cmakein.patch) @@ -22,8 +22,8 @@ export VMDDIR=/usr/lib/vmd/ #If vmd is available at compilation time #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 +#export CC=gcc-5 +#export CXX=g++-5 prepare() { cd ${srcdir}/gromacs-${pkgver}/scripts/ @@ -31,42 +31,44 @@ ls patch -p0 -i ${srcdir}/GMXRC.bash.cmakein.patch } + build() { mkdir -p ${srcdir}/{single,double} - msg2 "Building the single precision files" - cd ${srcdir}/single - cmake ../gromacs-${pkgver} \ - -DCMAKE_INSTALL_PREFIX=/usr/local/gromacs/gromacs-${pkgver} \ + msg2 "Building the double precision files" + cd ${srcdir}/double + cmake ../gromacs-${pkgver}/ \ + -DCMAKE_INSTALL_PREFIX=/usr/local/gromacs/gromacs-${pkgver}/ \ -DBUILD_SHARED_LIBS=ON \ -DGMX_DEFAULT_SUFFIX=ON \ - -DREGRESSIONTEST_DOWNLOAD=ON \ + -DGMX_GPU=OFF \ + -DGMX_DOUBLE=ON \ -DGMX_OPENMP=ON make - - msg2 "Building the double precision files" - cd ${srcdir}/double - cmake ../gromacs-${pkgver} \ + msg2 "Building the single precision files" + cd ${srcdir}/single + cmake ../gromacs-${pkgver}/ \ -DCMAKE_INSTALL_PREFIX=/usr/local/gromacs/gromacs-${pkgver} \ -DBUILD_SHARED_LIBS=ON \ -DGMX_DEFAULT_SUFFIX=ON \ - -DREGRESSIONTEST_DOWNLOAD=ON \ - -DGMX_DOUBLE=ON \ + -DGMX_GPU=OFF \ -DGMX_OPENMP=ON make } check () { - cd ${srcdir}/single - make test + msg2 "Testing double precision compilation" cd ${srcdir}/double - make test + make check + msg2 "Testing single precision compilation" + cd ${srcdir}/single + make check } package() { msg2 "Making the single precision executables" - cd ${srcdir}/single + cd ${srcdir}/single make DESTDIR=${pkgdir} install msg2 "Making the double precision executables" @@ -79,4 +81,3 @@ package() { find . -type f -exec chmod 0644 {} \; find . -type d -exec chmod 0755 {} \; } - |