038efc623d
* New package: qbox * API changes * Use install instead of shutil for comd * Use any BLAS library * Fix typo * Python2 fix * python2 + fix backslashes * Modified to respond to ld_flags correctly * Modified to use ld_flags * Add ld_flags support
56 lines
2.3 KiB
Python
56 lines
2.3 KiB
Python
##############################################################################
|
|
# 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)
|