Package/minimd (#4788)

* New Package: miniMD

* Minor Changes

* Corrected Dependency

* Renamed Executable

* Change to use build directory directly

1 files changed, 74 insertions, 0 deletions

diff --git a/var/spack/repos/builtin/packages/minimd/package.py b/var/spack/repos/builtin/packages/minimd/package.py
new file mode 100644
index 0000000000..ec09003886
--- /dev/null
+++ b/var/spack/repos/builtin/packages/minimd/package.py
@@ -0,0 +1,74 @@
+##############################################################################
+# 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 glob
+import tarfile
+
+from spack import *
+
+
+class Minimd(MakefilePackage):
+    """Proxy Application. A simple proxy for the force computations
+       in a typical molecular dynamics applications.
+    """
+
+    homepage = "http://mantevo.org"
+    url      = "http://mantevo.org/downloads/releaseTarballs/miniapps/MiniMD/miniMD_1.2.tgz"
+
+    version('1.2', '893ef1ca5062e32b43a8d11bcfe1a056')
+
+    depends_on('mpi')
+
+    build_directory = 'miniMD_ref'
+
+    @property
+    def build_targets(self):
+        targets = [
+            'LINK={0}'.format(self.spec['mpi'].mpicxx),
+            'CC={0}'.format(self.spec['mpi'].mpicxx),
+            'CCFLAGS={0} -DMPICH_IGNORE_CXX_SEEK -DNOCHUNK'.format(
+                self.compiler.openmp_flag),
+            'EXE=miniMD_mpi',
+            'openmpi'
+        ]
+
+        return targets
+
+    def edit(self, spec, prefix):
+        inner_tar = tarfile.open(name='miniMD_{0}_ref.tgz'.format(
+                                 self.version.up_to(2)))
+        inner_tar.extractall()
+
+    def install(self, spec, prefix):
+        # Manual Installation
+        mkdirp(prefix.bin)
+        mkdirp(prefix.doc)
+
+        install('miniMD_ref/miniMD_mpi', prefix.bin)
+        install('miniMD_ref/in.lj.miniMD', prefix.bin)
+        install('miniMD_ref/README', prefix.doc)
+
+        for f in glob.glob('miniMD_ref/in.*'):
+            install(f, prefix.doc)