# 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 PyEspressopp(CMakePackage): """ESPResSo++ is an extensible, flexible, fast and parallel simulation software for soft matter research. It is a highly versatile software package for the scientific simulation and analysis of coarse-grained atomistic or bead-spring models as they are used in soft matter research """ homepage = "https://espressopp.github.io" url = "https://github.com/espressopp/espressopp/tarball/v1.9.4.1" git = "https://github.com/espressopp/espressopp.git" version('develop', branch='master') version('2.0.2', sha256='8cf4525bca06426379f5b9fbb8cc2603f559d28a2e74d1d7694df963b8f3dc6c') version('1.9.5', sha256='8093f1a226f9fee8fb37c401767439a29ff3656dede3a44b4160169fc90d4d91') version('1.9.4.1', md5='0da74a6d4e1bfa6a2a24fca354245a4f') version('1.9.4', md5='f2a27993a83547ad014335006eea74ea') variant('ug', default=False, description='Build user guide') variant('pdf', default=False, description='Build user guide in pdf format') variant('dg', default=False, description='Build developer guide') depends_on("cmake@2.8:", type='build') depends_on("mpi") depends_on("boost+serialization+filesystem+system+python+mpi", when='@1.9.4:') extends("python") depends_on("python@2:2.8") depends_on("py-mpi4py@2.0.0:", when='@1.9.4', type=('build', 'run')) depends_on("py-mpi4py@1.3.1:", when='@1.9.4.1:', type=('build', 'run')) depends_on("fftw") depends_on("py-sphinx", when="+ug", type='build') depends_on("py-sphinx", when="+pdf", type='build') depends_on('py-numpy', type=('build', 'run')) depends_on('py-matplotlib', when="+ug", type='build') depends_on('py-matplotlib', when="+pdf", type='build') depends_on("texlive", when="+pdf", type='build') depends_on("doxygen", when="+dg", type='build') def cmake_args(self): return [ '-DEXTERNAL_MPI4PY=ON', '-DEXTERNAL_BOOST=ON', '-DWITH_RC_FILES=OFF' ] def build(self, spec, prefix): with working_dir(self.build_directory): make() if '+ug' in spec: make("ug", parallel=False) if '+pdf' in spec: make("ug-pdf", parallel=False) if '+dg' in spec: make("doc", parallel=False)