57 lines
2.3 KiB
Python
57 lines
2.3 KiB
Python
# Copyright 2013-2023 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.package import *
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class PyEspressopp(CMakePackage):
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"""ESPResSo++ is an extensible, flexible, fast and parallel simulation
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software for soft matter research. It is a highly versatile software
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package for the scientific simulation and analysis of coarse-grained
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atomistic or bead-spring models as they are used in soft matter research
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"""
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homepage = "https://espressopp.github.io"
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url = "https://github.com/espressopp/espressopp/tarball/v3.0.0"
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git = "https://github.com/espressopp/espressopp.git"
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version("master", branch="master")
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version("3.0.0", sha256="63518e768a98179ad5ef3be96eabaa4d38063b34962e2278db7d59ed2bb8a32e")
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variant("ug", default=False, description="Build user guide")
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variant("pdf", default=False, description="Build user guide in pdf format")
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variant("dg", default=False, description="Build developer guide")
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depends_on("cmake@2.8:", type="build")
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depends_on("mpi")
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depends_on("boost+serialization+filesystem+system+python+mpi cxxstd=11")
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depends_on("boost+numpy cxxstd=11", when="@master")
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extends("python")
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depends_on("python@3:", type=("build", "run"))
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depends_on("py-mpi4py@2.0.0:", type=("build", "run"))
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depends_on("fftw")
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depends_on("py-sphinx", when="+ug", type="build")
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depends_on("py-sphinx", when="+pdf", type="build")
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depends_on("py-numpy", type=("build", "run"))
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depends_on("py-pyh5md", when="@master", type=("build", "run"))
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depends_on("py-matplotlib", when="+ug", type="build")
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depends_on("py-matplotlib", when="+pdf", type="build")
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depends_on("texlive", when="+pdf", type="build")
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depends_on("doxygen", when="+dg", type="build")
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def cmake_args(self):
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return ["-DEXTERNAL_MPI4PY=ON", "-DEXTERNAL_BOOST=ON", "-DWITH_RC_FILES=OFF"]
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def build(self, spec, prefix):
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with working_dir(self.build_directory):
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make()
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if "+ug" in spec:
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make("ug", parallel=False)
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if "+pdf" in spec:
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make("ug-pdf", parallel=False)
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if "+dg" in spec:
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make("doc", parallel=False)
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