54 lines
1.8 KiB
Python
54 lines
1.8 KiB
Python
# Copyright 2013-2020 Lawrence Livermore National Security, LLC and other
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# Spack Project Developers. See the top-level COPYRIGHT file for details.
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#
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# SPDX-License-Identifier: (Apache-2.0 OR MIT)
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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('master', branch='master')
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version('1.2.2', sha256='ab1346939dbd70ffd89c5e5bf8d24946cb3655dc25b203bec7fc59c6c63e4c79')
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version('1.2.1', sha256='a21dda5ebdcefa56e9ff7296d74ef03f89c200d2e110a02af7a84612668bf702')
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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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