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##############################################################################
# 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
##############################################################################
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')
install('Makefile.vanilla', 'Makefile')
def install(self, spec, prefix):
install_tree('bin', prefix.bin)
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