From 8cf081b4b1cdffeeca082184e66b8152c9f61287 Mon Sep 17 00:00:00 2001 From: Wirawan Purwanto Date: Wed, 14 Apr 2021 12:01:31 -0400 Subject: [PATCH] * Copied armci-mpi build script from ODU container repo. This is taken from commit #dd7cf94ecdb1c1368fed2458c4f45bd95e1a140c from ODU container repo. No changes were made at all. --- wahab/builds/nwchem/build-armci-mpi.sh | 32 ++++++++++++++++++++++++++ 1 file changed, 32 insertions(+) create mode 100755 wahab/builds/nwchem/build-armci-mpi.sh 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