Initial commit: migrate from old AUR

1 files changed, 27 insertions, 0 deletions

diff --git a/config.sh b/config.sh
new file mode 100644
index 000000000000..66e8db5ee27b
--- /dev/null
+++ b/config.sh
@@ -0,0 +1,27 @@
+#=================================================
+#=GA=Settings
+#=================================================
+
+export USE_MPI=yes
+export USE_MPIF=yes
+export USE_MPIF4=yes
+
+export MPI_LOC=/usr/ #location of openmpi installation
+export MPI_LIB=$MPI_LOC/lib/openmpi
+export MPI_INCLUDE=$MPI_LOC/include/openmpi
+export LIBMPI="-pthread -Wl,--enable-new-dtags -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi"
+
+#=================================================
+#=NWChem=Settings
+#=================================================
+
+export NWCHEM_MODULES="all python"
+export NWCHEM_TOP=$(pwd)
+
+export PYTHONHOME=/usr
+export PYTHONVERSION=2.7
+export PYTHONLIBTYPE=so
+#export USE_PYTHON64=y
+
+export BLASOPT="-llapack -lblas"
+