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# Copyright 2013-2020 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/v2.0.2"
git = "https://github.com/espressopp/espressopp.git"
version('develop', branch='master')
version('2.0.2', sha256='8cf4525bca06426379f5b9fbb8cc2603f559d28a2e74d1d7694df963b8f3dc6c')
version('1.9.5', sha256='8093f1a226f9fee8fb37c401767439a29ff3656dede3a44b4160169fc90d4d91')
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@:1.16.6', 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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