diff --git a/MPI/cpmd/LINUX-X86_64-PMODULE b/MPI/cpmd/LINUX-X86_64-PMODULE new file mode 100644 index 0000000..1b18b08 --- /dev/null +++ b/MPI/cpmd/LINUX-X86_64-PMODULE @@ -0,0 +1,30 @@ +#INFO# +#INFO# Configuration to build a 64-bit parallel CPMD executable for +#INFO# Fedora Linux (version 6 and up). Required packages: +#INFO# gcc-mpif90, atlas-devel, fftw2-devel, openmpi-devel +#INFO# +#INFO# + + IRAT=2 + FC='mpif90' + CC='mpicc' + LD='mpif90' + CPP='' + CPPFLAGS='-D__Linux -D__GNU -D__PARALLEL -D__HAS_FFT_DEFAULT -D__x86_64' + FFLAGS_GROMOS='-ffixed-form $(FFLAGS)' + FFLAGS_GROMOS_MODULES=' $(FFLAGS)' + if [ $debug ]; then + FFLAGS='-g -O0' + CFLAGS='-g -O0' + else + FFLAGS='-O2' + CFLAGS='-O2 -Wall' + fi + if [ $omp ]; then + FFLAGS=${FFLAGS}' -fopenmp' + OMP3_DISABLED=`{ ${FC} -v; } 2>&1 | ${GREP} version | ${AWK} '{ print ( $3 < "4.7.0" ) ? "true" : "false" }'` + LIBS='-L/usr/lib64/atlas/ -llapack -lblas' + else + LIBS='-L/usr/lib64/atlas/ -llapack -lblas' + fi + LFLAGS=' '${LIBS} diff --git a/MPI/cpmd/build b/MPI/cpmd/build index a5c86d5..152802a 100755 --- a/MPI/cpmd/build +++ b/MPI/cpmd/build @@ -4,7 +4,7 @@ case $OS in Linux ) - target='LINUX-X86_64-FEDORA-MPI-FFTW' + target='LINUX-X86_64-PMODULE' ;; Darwin ) target='MACOSX-GFORTRAN-INTEL-MPI' @@ -12,6 +12,7 @@ case $OS in esac pbuild::configure() { + cp -v "${BUILD_BLOCK_DIR}/${target}" "${MODULE_BUILDDIR}/configure" ./configure.sh "${target}" || exit 1 }