Added Proxy App CoSP2 (#4726)

* Added Proxy App CoSP2 * Updated the PATH * Updated MPI Fix * Fixed Issues * Fixed Issues with compiler and Flake8 * Enhanced block of code. * Intended
2017-07-19 08:49:29 -05:00 · 2017-07-19 08:49:29 -05:00 · a6cac6ac99
commit a6cac6ac99
parent 7165129598
1 changed files with 74 additions and 0 deletions
--- a/var/spack/repos/builtin/packages/cosp2/package.py
+++ 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)