- tar zxf gromacs-4.6.7.tar.gz && cd gromacs-4.6.7
- mkdir build && cd build
- CFLAGS=-static CXXFLAGS=-static \
cmake .. -DCMAKE_INSTALL_PREFIX=/pkg/gromacs-4.6.7 \
-DBUILD_SHARED_LIBS=OFF \
-DGMX_PREFER_STATIC_LIBS=ON \
-DCMAKE_SKIP_RPATH=ON \
-DGMX_BUILD_OWN_FFTW=ON \
-DREGRESSIONTEST_DOWNLOAD=OFF - make -j 12 2>&1 | tee make.single.log
- make install
- make clean
- CFLAGS=-static CXXFLAGS=-static \
cmake .. -DCMAKE_INSTALL_PREFIX=/pkg/gromacs-4.6.7 \
-DBUILD_SHARED_LIBS=OFF \
-DGMX_PREFER_STATIC_LIBS=ON \
-DCMAKE_SKIP_RPATH=ON \
-DGMX_BUILD_OWN_FFTW=ON \
-DREGRESSIONTEST_DOWNLOAD=OFF \
-DGMX_DOUBLE=ON \
-DGMX_DEFAULT_SUFFIX=ON - make -j 12 2>&1 | tee make.double.log
- make install
- wget http://gerrit.gromacs.org/download/regressiontests-4.6.7.tar.gz
- tar zxf regressiontests-4.6.7.tar.gz && cd regressiontests-4.6.7
- source /pkg/gromacs-4.6.7/bin/GMXRC
- ./gmxtest.pl all -nt 12 2>&1 | tee gmxtest_single.log
- grep PASS gmxtest_single.log | grep -v ^PASSED
- ./gmxtest.pl all -double -nt 12 2>&1 | tee gmxtest_double.log
- grep PASS gmxtest_double.log | grep -v ^PASSED
_EOF_
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