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##############################################################################
# Copyright (c) 2013-2017, 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/spack/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 *
import shutil
class Cosp2(MakefilePackage):
"""Proxy Application. CoSP2 represents a sparse linear algebra
parallel algorithm for calculating the density matrix in electronic
tructure theory. The algorithm is based on a recursive second-order
Fermi-Operator expansion method (SP2) and is tailored for density
functional based tight-binding calculations of non-metallic systems.
"""
tags = ['proxy-app']
homepage = "http://www.exmatex.org/cosp2.html"
url = "https://github.com/exmatex/CoSP2/archive/master.tar.gz"
version('master', git='https://github.com/exmatex/CoSP2.git',
description='master')
variant('double', default=True,
description='Build with double precision.')
variant('mpi', default=True, description='Build with MPI Support')
depends_on('mpi', when='+mpi')
build_directory = 'src-mpi'
def edit(self, spec, prefix):
cc = spack_cc
if '+mpi' in spec:
cc = spec['mpi'].mpicc
with working_dir(self.build_directory):
makefile = FileFilter('Makefile.vanilla')
makefile.filter(r'^CC\s*=.*', 'CC = {0}'.format(cc))
if '+double' in spec:
filter_file('DOUBLE_PRECISION = O.*', 'DOUBLE_PRECISION = OFF',
'Makefile.vanilla')
shutil.copy('Makefile.vanilla', 'Makefile')
def install(self, spec, prefix):
install_tree('bin/', prefix.bin)
install_tree('examples/', prefix.examples)
install_tree('doc/', prefix.doc)
install('src-mpi/Doxyfile', prefix.doc)
install('README.md', prefix.doc)
install('LICENSE.md', prefix.doc)
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