Added qe/6.3 Quantum Espresso

This commit is contained in:
Caubet Serrabou Marc
2018-11-23 16:27:43 +01:00
parent 83aac7f8c7
commit fb8eca99c8
5 changed files with 35 additions and 0 deletions
+1
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@@ -1,3 +1,4 @@
lammps/2018.3 unstable gcc/7.3.0 openmpi/3.0.1
lammps/2018.3_merlin unstable gcc/8.2.0 openmpi/3.1.1 b:cmake/3.9.6
lammps/2018.11_merlin unstable gcc/8.2.0 openmpi/3.1.1 b:cmake/3.9.6
lammps/2018.11_merlin2 unstable gcc/8.2.0 openmpi/3.1.1 b:cmake/3.9.6
+4
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@@ -30,6 +30,10 @@ pbuild::compile_in_sourcetree
# cp -v "${BUILDBLOCK_DIR}/files/Makefile.PSI" "${BUILD_DIR}/src/MAKE/MINE"
# }
#
pbuild::configure() {
sed -i '/^CCFLAGS.*/ s/$/ -fopenmp/' ${BUILD_DIR}/src/MAKE/Makefile.mpi
sed -i '/^LINKFLAGS.*/ s/$/ -fopenmp/' ${BUILD_DIR}/src/MAKE/Makefile.mpi
}
pbuild::compile() {
echo BEGIN COMPILE