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-rw-r--r--var/spack/repos/builtin/packages/qmd-progress/package.py62
1 files changed, 62 insertions, 0 deletions
diff --git a/var/spack/repos/builtin/packages/qmd-progress/package.py b/var/spack/repos/builtin/packages/qmd-progress/package.py
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+##############################################################################
+# Copyright (c) 2017, Los Alamos National Security, LLC
+# Produced at the Los Alamos 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 *
+
+
+class QmdProgress(CMakePackage):
+ """PROGRESS: Parallel, Rapid O(N) and Graph-based Recursive Electronic
+ Structure Solver.
+ This library is focused on the development of general solvers that are
+ commonly used in quantum chemistry packages."""
+
+ homepage = "https://github.com/lanl/qmd-progress"
+ url = "https://github.com/lanl/qmd-progress"
+
+ version('develop', git='https://github.com/lanl/qmd-progress', branch='master')
+ version('1.0.0', git='https://github.com/lanl/qmd-progress', tag='v1.0.0')
+
+ variant('graphlib', default=False, description='Build with Metis Suppport')
+ variant('mpi', default=True, description='Build with MPI Support')
+
+ depends_on('bml')
+ depends_on('mpi', when='+mpi')
+ depends_on('metis', when='+graphlib')
+
+ def cmake_args(self):
+ spec = self.spec
+ args = ['-DCMAKE_Fortran_FLAGS=-ffree-line-length-none']
+ if '+mpi' in spec:
+ args.append('-DPROGRESS_MPI=yes')
+ args.append('-DCMAKE_C_COMPILER=%s' % spec['mpi'].mpicc)
+ args.append('-DCMAKE_CXX_COMPILER=%s' % spec['mpi'].mpicxx)
+ args.append('-DCMAKE_Fortran_COMPILER=%s' % spec['mpi'].mpifc)
+ else:
+ args.append('-DPROGRESS_MPI=no')
+ if '+graphlib' in spec:
+ args.append('-DPROGRESS_GRAPHLIB=yes')
+ else:
+ args.append('-DPROGRESS_GRAPHLIB=no')
+
+ return args