51 lines
1.9 KiB
Python
51 lines
1.9 KiB
Python
# Copyright 2013-2019 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 QmdProgress(CMakePackage):
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"""PROGRESS: Parallel, Rapid O(N) and Graph-based Recursive Electronic
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Structure Solver.
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This library is focused on the development of general solvers that are
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commonly used in quantum chemistry packages."""
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homepage = "https://github.com/lanl/qmd-progress"
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url = "https://github.com/lanl/qmd-progress/tarball/v1.1.0"
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git = "https://github.com/lanl/qmd-progress.git"
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version('develop', branch='master')
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version('1.1.0', 'dda155134f0925629bf116e562c0a4bd')
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version('1.0.0', 'c950bead2719a47a78864e3376ba143e')
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variant('graphlib', default=False, description='Build with Metis Suppport')
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variant('mpi', default=True, description='Build with MPI Support')
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variant('shared', default=True, description='Build shared libs')
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depends_on('bml')
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depends_on('mpi', when='+mpi')
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depends_on('metis', when='+graphlib')
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def cmake_args(self):
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spec = self.spec
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args = ['-DCMAKE_Fortran_FLAGS=-ffree-line-length-none']
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if '+shared' in spec:
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args.append('-DBUILD_SHARED_LIBS=ON')
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else:
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args.append('-DBUILD_SHARED_LIBS=OFF')
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if '+mpi' in spec:
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args.append('-DPROGRESS_MPI=yes')
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args.append('-DCMAKE_C_COMPILER=%s' % spec['mpi'].mpicc)
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args.append('-DCMAKE_CXX_COMPILER=%s' % spec['mpi'].mpicxx)
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args.append('-DCMAKE_Fortran_COMPILER=%s' % spec['mpi'].mpifc)
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else:
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args.append('-DPROGRESS_MPI=no')
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if '+graphlib' in spec:
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args.append('-DPROGRESS_GRAPHLIB=yes')
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else:
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args.append('-DPROGRESS_GRAPHLIB=no')
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return args
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