diff --git a/scripts/MPI/gromacs/build b/scripts/MPI/gromacs/build new file mode 100755 index 0000000..727c2a0 --- /dev/null +++ b/scripts/MPI/gromacs/build @@ -0,0 +1,24 @@ +#!/bin/bash + +source "$(dirname $0)/../../../lib/libem.bash" + +function em.configure() { + cmake \ + -DCMAKE_INSTALL_PREFIX="${PREFIX}" \ + -DCMAKE_BUILD_TYPE=RELEASE \ + -DGMX_MPI=on \ + -DGMX_BUILD_OWN_FFTW=on \ + "${MODULE_SRCDIR}" \ + || exit 1 +} + + +em.add_to_family 'MPI' +em.set_runtime_dependencies "${COMPILER}" "${MPI}" +em.set_build_dependencies "${COMPILER}" "${MPI}" cmake +em.set_docfiles \ + AUTHORS \ + COPYING \ + README +em.make_all +