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authorAkhil Reddy Patlolla <patlolla.akhil@gmail.com>2017-07-19 08:49:29 -0500
committerAdam J. Stewart <ajstewart426@gmail.com>2017-07-19 08:49:29 -0500
commita6cac6ac9925b816e73b32b7263d03bd42853a1e (patch)
tree23d03f8081bd5975c6545b58e37b4eefc3ab5d8d /var
parent716512959831d5f5b91bbd1ed78f4f9108c4794a (diff)
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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
Diffstat (limited to 'var')
-rw-r--r--var/spack/repos/builtin/packages/cosp2/package.py74
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
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+++ 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) \ No newline at end of file