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Initial Spackage for qmd-progress library (#4924)

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* Initial Spackage for qmd-progress library

PROGRESS is a library is focused on the development of general solvers
that are commonly used in quantum chemistry packages.

* Removed LA-CC from description to fix formatting

* Added Additional Formatting Requests

Added requested formatting changes and also ensured that graphlib and
mpi are disabled if not enabled
This commit is contained in:
Robert Pavel 2017-07-28 16:10:24 -06:00 committed by Adam J. Stewart
parent 92ea7c4337
commit f7c24289e5
1 changed files with 62 additions and 0 deletions
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var/spack/repos/builtin/packages/qmd-progress/package.py Normal file
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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