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# Copyright 2013-2018 Lawrence Livermore National Security, LLC and other
# Spack Project Developers. See the top-level COPYRIGHT file for details.
#
# SPDX-License-Identifier: (Apache-2.0 OR MIT)
from spack import *
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"
git = "https://github.com/exmatex/CoSP2.git"
version('master', branch='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')
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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