diff options
| author | Hector Mtz-Seara | 2016-09-19 13:28:40 +0200 |
|---|---|---|
| committer | Hector Mtz-Seara | 2016-09-19 13:28:40 +0200 |
| commit | e28c0895b369390350ea7fe42c7bab339720b8be (patch) | |
| tree | 20a8a92d1f17d57bf7edfb9a77411a122e851ae9 /PKGBUILD | |
| parent | 6cb6d49492adde9099f1a7b399e8d20ff7df8725 (diff) | |
| download | aur-e28c0895b369390350ea7fe42c7bab339720b8be.tar.gz | |
Upadated to gromacs-2016 - Using self compiled fftw
Diffstat (limited to 'PKGBUILD')
| -rw-r--r-- | PKGBUILD | 14 |
1 files changed, 11 insertions, 3 deletions
@@ -5,17 +5,23 @@ # Contributor: Ricardo <rikardo.horo@gmail.com> pkgname=gromacs -pkgver=5.1.2 +pkgver=2016 pkgrel=1 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=('atlas-lapack-base' 'fftw' 'lesstif' 'libxml2') +depends=('blas' 'lapack' 'cblas' 'zlib' 'hwloc' 'libx11') makedepends=('cmake') options=('!libtool') source=(ftp://ftp.gromacs.org/pub/gromacs/${pkgname}-${pkgver}.tar.gz) -sha1sums=('4a9a77711206c8cd0e1f4dd31f2edc569589e9dc') +sha1sums=('2dcbb922acce6df74f0b381f80989a4da63cd0ce') + +#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 + build() { mkdir -p ${srcdir}/{single,double} @@ -34,6 +40,7 @@ build() { -DGMX_X11=ON \ -DCMAKE_INSTALL_LIBDIR=lib \ -DGMX_DOUBLE=ON \ + -DGMX_BUILD_OWN_FFTW=ON \ -DREGRESSIONTEST_DOWNLOAD=ON \ -DGMX_LIBS_SUFFIX=_d make @@ -44,6 +51,7 @@ build() { -DCMAKE_INSTALL_PREFIX=/usr/ \ -DBUILD_SHARED_LIBS=ON \ -DGMX_X11=ON \ + -DGMX_BUILD_OWN_FFTW=ON \ -DREGRESSIONTEST_DOWNLOAD=ON \ -DCMAKE_INSTALL_LIBDIR=lib make |