MPI/cpmd/build:

- use target LINUX-X86_64-PMODULES

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}

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
 }