New package: CoMD (#4697)

* New package: comd

* Avoid re-defining build

1 files changed, 56 insertions, 0 deletions

diff --git a/var/spack/repos/builtin/packages/comd/package.py b/var/spack/repos/builtin/packages/comd/package.py
new file mode 100644
index 0000000000..e033e724b4
--- /dev/null
+++ b/var/spack/repos/builtin/packages/comd/package.py
@@ -0,0 +1,56 @@
+##############################################################################
+# Copyright (c) 2013-2016, Lawrence Livermore National Security, LLC.
+# Produced at the Lawrence Livermore National Laboratory.
+#
+# This file is part of Spack.
+# Created by Todd Gamblin, tgamblin@llnl.gov, All rights reserved.
+# LLNL-CODE-647188
+#
+# For details, see https://github.com/llnl/spack
+# Please also see the NOTICE and LICENSE files for our notice and the LGPL.
+#
+# This program is free software; you can redistribute it and/or modify
+# it under the terms of the GNU Lesser General Public License (as
+# published by the Free Software Foundation) version 2.1, February 1999.
+#
+# This program is distributed in the hope that it will be useful, but
+# WITHOUT ANY WARRANTY; without even the IMPLIED WARRANTY OF
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the terms and
+# conditions of the GNU Lesser General Public License for more details.
+#
+# You should have received a copy of the GNU Lesser General Public
+# License along with this program; if not, write to the Free Software
+# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
+##############################################################################
+
+import shutil
+from spack import *
+
+
+class Comd(MakefilePackage):
+    """CoMD is a reference implementation of classical molecular dynamics
+    algorithms and workloads as used in materials science. It is created and
+    maintained by The Exascale Co-Design Center for Materials in Extreme
+    Environments (ExMatEx). The code is intended to serve as a vehicle for
+    co-design by allowing others to extend and/or reimplement it as needed to
+    test performance of new architectures, programming models, etc. New
+    versions of CoMD will be released to incorporate the lessons learned from
+    the co-design process."""
+
+    homepage = "http://exmatex.github.io/CoMD/"
+
+    version('master', git='https://github.com/exmatex/CoMD.git',
+            branch='master')
+
+    depends_on('mpi')
+
+    build_directory = 'src-mpi'
+
+    def edit(self, spec, prefix):
+        with working_dir('src-mpi'):
+            filter_file(r'^CC\s*=.*', 'CC = %s' % self.spec['mpi'].mpicc,
+                        'Makefile.vanilla')
+            shutil.move('Makefile.vanilla', 'Makefile')
+
+    def install(self, spec, prefix):
+        shutil.move('bin', prefix)