# Copyright 2013-2019 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('develop', branch='master') version('1.2.1', '9a0690bf4e0e1cab057475a67052b0a8') version('1.2.0', 'b9bf8f84a0e0cf7b0e278a1bc7751b3d') version('1.1.1', 'ab11867ba6235189681cf6e50a50cc50') version('1.0.1', 'd0b99edbcf7a19abe0a68a192d6f6234') 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