From 8b399cf14d8a3534bed0c7ed7318fcdce881b09f Mon Sep 17 00:00:00 2001
From: Achim Gsell <achim.gsell@psi.ch>
Date: Mon, 9 Mar 2015 16:46:12 +0100
Subject: [PATCH] gromacs: build script added

---
 scripts/MPI/gromacs/build | 24 ++++++++++++++++++++++++
 1 file changed, 24 insertions(+)
 create mode 100755 scripts/MPI/gromacs/build

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
+