# Copyright 2013-2024 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.package 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/v3.0.0" git = "https://github.com/espressopp/espressopp.git" license("GPL-3.0-or-later") version("master", branch="master") version("3.0.0", sha256="63518e768a98179ad5ef3be96eabaa4d38063b34962e2278db7d59ed2bb8a32e") 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 cxxstd=11") depends_on("boost+numpy cxxstd=11", when="@master") extends("python") depends_on("python@3:", type=("build", "run")) depends_on("py-mpi4py@2.0.0:", 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-pyh5md", when="@master", 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)