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# Copyright 2013-2018 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 QmdProgress(CMakePackage):
"""PROGRESS: Parallel, Rapid O(N) and Graph-based Recursive Electronic
Structure Solver.
This library is focused on the development of general solvers that are
commonly used in quantum chemistry packages."""
homepage = "https://github.com/lanl/qmd-progress"
url = "https://github.com/lanl/qmd-progress/tarball/v1.1.0"
git = "https://github.com/lanl/qmd-progress.git"
version('develop', branch='master')
version('1.1.0', 'dda155134f0925629bf116e562c0a4bd')
version('1.0.0', 'c950bead2719a47a78864e3376ba143e')
variant('graphlib', default=False, description='Build with Metis Suppport')
variant('mpi', default=True, description='Build with MPI Support')
variant('shared', default=True, description='Build shared libs')
depends_on('bml')
depends_on('mpi', when='+mpi')
depends_on('metis', when='+graphlib')
def cmake_args(self):
spec = self.spec
args = ['-DCMAKE_Fortran_FLAGS=-ffree-line-length-none']
if '+shared' in spec:
args.append('-DBUILD_SHARED_LIBS=ON')
else:
args.append('-DBUILD_SHARED_LIBS=OFF')
if '+mpi' in spec:
args.append('-DPROGRESS_MPI=yes')
args.append('-DCMAKE_C_COMPILER=%s' % spec['mpi'].mpicc)
args.append('-DCMAKE_CXX_COMPILER=%s' % spec['mpi'].mpicxx)
args.append('-DCMAKE_Fortran_COMPILER=%s' % spec['mpi'].mpifc)
else:
args.append('-DPROGRESS_MPI=no')
if '+graphlib' in spec:
args.append('-DPROGRESS_GRAPHLIB=yes')
else:
args.append('-DPROGRESS_GRAPHLIB=no')
return args
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