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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/spack/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 Latte(CMakePackage):
"""Open source density functional tight binding molecular dynamics."""
homepage = "https://github.com/lanl/latte"
url = "https://github.com/lanl/latte/tarball/v1.0"
tags = ['ecp', 'ecp-apps']
version('1.2.1', '56db44afaba2a89e6ca62ac565c3c012')
version('1.2.0', 'b9bf8f84a0e0cf7b0e278a1bc7751b3d')
version('1.1.1', 'ab11867ba6235189681cf6e50a50cc50')
version('1.0.1', 'd0b99edbcf7a19abe0a68a192d6f6234')
version('develop', git='https://github.com/lanl/latte', branch='master')
variant('mpi', default=True,
description='Build with mpi')
variant('progress', default=False,
description='Use progress for fast')
variant('shared', default=True, description='Build shared libs')
depends_on("cmake@3.1:", type='build')
depends_on('blas')
depends_on('lapack')
depends_on('mpi', when='+mpi')
depends_on('qmd-progress', when='+progress')
root_cmakelists_dir = 'cmake'
def cmake_args(self):
options = []
if '+shared' in self.spec:
options.append('-DBUILD_SHARED_LIBS=ON')
else:
options.append('-DBUILD_SHARED_LIBS=OFF')
if '+mpi' in self.spec:
options.append('-DO_MPI=yes')
if '+progress' in self.spec:
options.append('-DPROGRESS=yes')
blas_list = ';'.join(self.spec['blas'].libs)
lapack_list = ';'.join(self.spec['lapack'].libs)
options.append('-DBLAS_LIBRARIES={0}'.format(blas_list))
options.append('-DLAPACK_LIBRARIES={0}'.format(lapack_list))
return options
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