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# Copyright 2013-2021 Lawrence Livermore National Security, LLC and other
# Spack Project Developers. See the top-level COPYRIGHT file for details.
#
# SPDX-License-Identifier: (Apache-2.0 OR MIT)
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/v1.2.1"
git = "https://github.com/lanl/latte.git"
tags = ['ecp', 'ecp-apps']
version('master', branch='master')
version('1.2.2', sha256='ab1346939dbd70ffd89c5e5bf8d24946cb3655dc25b203bec7fc59c6c63e4c79')
version('1.2.1', sha256='a21dda5ebdcefa56e9ff7296d74ef03f89c200d2e110a02af7a84612668bf702')
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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