Added qe/6.3 Quantum Espresso

2018-11-23 16:27:43 +01:00
parent 83aac7f8c7
commit fb8eca99c8
5 changed files with 35 additions and 0 deletions
@@ -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