diff --git a/wahab/builds/nwchem/build-armci-mpi.sh b/wahab/builds/nwchem/build-armci-mpi.sh new file mode 100755 index 0000000..001065e --- /dev/null +++ b/wahab/builds/nwchem/build-armci-mpi.sh @@ -0,0 +1,32 @@ +#!/bin/bash + +source /etc/container_runtime/buildtime + +load_conda +export CC=x86_64-conda_cos6-linux-gnu-gcc +export CXX=x86_64-conda_cos6-linux-gnu-g++ +export FC=x86_64-conda_cos6-linux-gnu-gfortran +load_mpich + +export CC=mpicc +export CXX=mpicxx +export FC=mpifort + +export MPICC=mpicc +export MPICXX=mpicxx +export MPIFC=mpifort + +ARMCI_MPI_ROOT=/opt/armci-mpi + +echo PATH=$PATH + +[ -d $ARMCI_MPI_ROOT ] || git clone https://github.com/pmodels/armci-mpi $ARMCI_MPI_ROOT + + +cd $ARMCI_MPI_ROOT +autoreconf -i + +./configure CC=mpicc --enable-g --prefix=$ARMCI_MPI_ROOT +make +make check +make install