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# 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)
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