62 lines
2.5 KiB
Python
62 lines
2.5 KiB
Python
# Copyright 2013-2019 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 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/v1.9.4.1"
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git = "https://github.com/espressopp/espressopp.git"
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version('develop', branch='master')
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version('2.0.2', sha256='8cf4525bca06426379f5b9fbb8cc2603f559d28a2e74d1d7694df963b8f3dc6c')
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version('1.9.5', '13a93c30b07132b5e5fa0d828aa17d79')
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version('1.9.4.1', '0da74a6d4e1bfa6a2a24fca354245a4f')
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version('1.9.4', 'f2a27993a83547ad014335006eea74ea')
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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", when='@1.9.4:')
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extends("python")
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depends_on("python@2:2.8")
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depends_on("py-mpi4py@2.0.0:", when='@1.9.4', type=('build', 'run'))
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depends_on("py-mpi4py@1.3.1:", when='@1.9.4.1:', 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-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 [
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'-DEXTERNAL_MPI4PY=ON',
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'-DEXTERNAL_BOOST=ON',
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'-DWITH_RC_FILES=OFF'
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]
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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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