74 lines
2.9 KiB
Python
74 lines
2.9 KiB
Python
##############################################################################
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# Copyright (c) 2013-2017, Lawrence Livermore National Security, LLC.
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# Produced at the Lawrence Livermore National Laboratory.
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#
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# This file is part of Spack.
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# Created by Todd Gamblin, tgamblin@llnl.gov, All rights reserved.
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# LLNL-CODE-647188
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#
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# For details, see https://github.com/llnl/spack
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# Please also see the NOTICE and LICENSE files for our notice and the LGPL.
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#
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# This program is free software; you can redistribute it and/or modify
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# it under the terms of the GNU Lesser General Public License (as
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# published by the Free Software Foundation) version 2.1, February 1999.
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#
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# This program is distributed in the hope that it will be useful, but
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# WITHOUT ANY WARRANTY; without even the IMPLIED WARRANTY OF
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# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the terms and
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# conditions of the GNU Lesser General Public License for more details.
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#
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# You should have received a copy of the GNU Lesser General Public
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# License along with this program; if not, write to the Free Software
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# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
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##############################################################################
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from spack import *
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import shutil
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class Cosp2(MakefilePackage):
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"""Proxy Application. CoSP2 represents a sparse linear algebra
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parallel algorithm for calculating the density matrix in electronic
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tructure theory. The algorithm is based on a recursive second-order
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Fermi-Operator expansion method (SP2) and is tailored for density
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functional based tight-binding calculations of non-metallic systems.
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"""
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tags = ['proxy-app']
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homepage = "http://www.exmatex.org/cosp2.html"
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url = "https://github.com/exmatex/CoSP2/archive/master.tar.gz"
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version('master', git='https://github.com/exmatex/CoSP2.git',
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description='master')
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variant('double', default=True,
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description='Build with double precision.')
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variant('mpi', default=True, description='Build with MPI Support')
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depends_on('mpi', when='+mpi')
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build_directory = 'src-mpi'
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def edit(self, spec, prefix):
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cc = spack_cc
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if '+mpi' in spec:
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cc = spec['mpi'].mpicc
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with working_dir(self.build_directory):
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makefile = FileFilter('Makefile.vanilla')
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makefile.filter(r'^CC\s*=.*', 'CC = {0}'.format(cc))
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if '+double' in spec:
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filter_file('DOUBLE_PRECISION = O.*', 'DOUBLE_PRECISION = OFF',
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'Makefile.vanilla')
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shutil.copy('Makefile.vanilla', 'Makefile')
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def install(self, spec, prefix):
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install_tree('bin/', prefix.bin)
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install_tree('examples/', prefix.examples)
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install_tree('doc/', prefix.doc)
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install('src-mpi/Doxyfile', prefix.doc)
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install('README.md', prefix.doc)
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install('LICENSE.md', prefix.doc) |