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| -rw-r--r-- | var/spack/repos/builtin/packages/cosp2/package.py | 74 |
1 files changed, 74 insertions, 0 deletions
diff --git a/var/spack/repos/builtin/packages/cosp2/package.py b/var/spack/repos/builtin/packages/cosp2/package.py new file mode 100644 index 0000000000..3ed89d5a19 --- /dev/null +++ b/var/spack/repos/builtin/packages/cosp2/package.py @@ -0,0 +1,74 @@ +############################################################################## +# 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 * +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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