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authorHector Martinez-Seara2019-01-27 20:14:15 +0100
committerHector Martinez-Seara2019-01-27 20:14:15 +0100
commit9c5959385ef5b51bd2665910a5a926c072a65c75 (patch)
treea33c242c3863ed9004d4ee6e3b3354d5f1b5310c
parentce6b7a0a17d6044047a4c8f135418a6f1746a316 (diff)
downloadaur-9c5959385ef5b51bd2665910a5a926c072a65c75.tar.gz
Updated to use default gcc (NO CUDA SUPPORT)
-rw-r--r--.SRCINFO5
-rw-r--r--PKGBUILD41
2 files changed, 23 insertions, 23 deletions
diff --git a/.SRCINFO b/.SRCINFO
index df4a654b3b7..626e322fd2e 100644
--- a/.SRCINFO
+++ b/.SRCINFO
@@ -1,17 +1,16 @@
pkgbase = gromacs-4.6-complete
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.
pkgver = 4.6.7
- pkgrel = 5
+ pkgrel = 7
url = http://www.gromacs.org/
arch = i686
arch = x86_64
license = GPL
+ depends = gcc5
depends = fftw
- depends = openmotif
depends = perl
depends = libxml2
depends = libsm
- depends = libx11
depends = doxygen
options = !libtool
source = ftp://ftp.gromacs.org/pub/gromacs/gromacs-4.6.7.tar.gz
diff --git a/PKGBUILD b/PKGBUILD
index 28d928c3792..ff3465611f8 100644
--- a/PKGBUILD
+++ b/PKGBUILD
@@ -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 {} \;
}
-