75 lines
2.8 KiB
Python
75 lines
2.8 KiB
Python
##############################################################################
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# Copyright (c) 2017, Los Alamos National Security, LLC
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# Produced at the Los Alamos National Laboratory.
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#
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# This file is part of Spack.
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# Created by Todd Gamblin, tgamblin@llnl.gov, All rights reserved.
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# LLNL-CODE-647188
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#
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# For details, see https://github.com/spack/spack
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# Please also see the NOTICE and LICENSE files for our notice and the LGPL.
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#
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# This program is free software; you can redistribute it and/or modify
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# it under the terms of the GNU Lesser General Public License (as
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# published by the Free Software Foundation) version 2.1, February 1999.
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#
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# This program is distributed in the hope that it will be useful, but
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# WITHOUT ANY WARRANTY; without even the IMPLIED WARRANTY OF
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# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the terms and
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# conditions of the GNU Lesser General Public License for more details.
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#
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# You should have received a copy of the GNU Lesser General Public
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# License along with this program; if not, write to the Free Software
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# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
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##############################################################################
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from spack import *
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class Latte(CMakePackage):
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"""Open source density functional tight binding molecular dynamics."""
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homepage = "https://github.com/lanl/latte"
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url = "https://github.com/lanl/latte/tarball/v1.2.1"
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git = "https://github.com/lanl/latte.git"
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tags = ['ecp', 'ecp-apps']
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version('develop', branch='master')
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version('1.2.1', '56db44afaba2a89e6ca62ac565c3c012')
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version('1.2.0', 'b9bf8f84a0e0cf7b0e278a1bc7751b3d')
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version('1.1.1', 'ab11867ba6235189681cf6e50a50cc50')
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version('1.0.1', 'd0b99edbcf7a19abe0a68a192d6f6234')
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variant('mpi', default=True,
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description='Build with mpi')
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variant('progress', default=False,
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description='Use progress for fast')
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variant('shared', default=True, description='Build shared libs')
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depends_on("cmake@3.1:", type='build')
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depends_on('blas')
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depends_on('lapack')
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depends_on('mpi', when='+mpi')
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depends_on('qmd-progress', when='+progress')
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root_cmakelists_dir = 'cmake'
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def cmake_args(self):
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options = []
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if '+shared' in self.spec:
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options.append('-DBUILD_SHARED_LIBS=ON')
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else:
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options.append('-DBUILD_SHARED_LIBS=OFF')
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if '+mpi' in self.spec:
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options.append('-DO_MPI=yes')
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if '+progress' in self.spec:
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options.append('-DPROGRESS=yes')
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blas_list = ';'.join(self.spec['blas'].libs)
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lapack_list = ';'.join(self.spec['lapack'].libs)
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options.append('-DBLAS_LIBRARIES={0}'.format(blas_list))
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options.append('-DLAPACK_LIBRARIES={0}'.format(lapack_list))
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return options
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