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)