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 | |
| parent | 6cb6d49492adde9099f1a7b399e8d20ff7df8725 (diff) | |
| download | aur-e28c0895b369390350ea7fe42c7bab339720b8be.tar.gz | |
Upadated to gromacs-2016 - Using self compiled fftw
| -rw-r--r-- | .SRCINFO | 18 | ||||
| -rw-r--r-- | PKGBUILD | 14 |
2 files changed, 20 insertions, 12 deletions
@@ -1,21 +1,21 @@ -# Generated by mksrcinfo v8 -# Tue Feb 16 16:04:01 UTC 2016 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 = 5.1.2 + pkgver = 2016 pkgrel = 1 url = http://www.gromacs.org/ arch = i686 arch = x86_64 license = LGPL makedepends = cmake - depends = atlas-lapack-base - depends = fftw - depends = lesstif - depends = libxml2 + depends = blas + depends = lapack + depends = cblas + depends = zlib + depends = hwloc + depends = libx11 options = !libtool - source = ftp://ftp.gromacs.org/pub/gromacs/gromacs-5.1.2.tar.gz - sha1sums = 4a9a77711206c8cd0e1f4dd31f2edc569589e9dc + source = ftp://ftp.gromacs.org/pub/gromacs/gromacs-2016.tar.gz + sha1sums = 2dcbb922acce6df74f0b381f80989a4da63cd0ce pkgname = gromacs @@ -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 |