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Diffstat (limited to 'var')
| -rw-r--r-- | var/spack/repos/builtin/packages/espressopp/package.py | 79 |
1 files changed, 79 insertions, 0 deletions
diff --git a/var/spack/repos/builtin/packages/espressopp/package.py b/var/spack/repos/builtin/packages/espressopp/package.py new file mode 100644 index 0000000000..ddc98f07c5 --- /dev/null +++ b/var/spack/repos/builtin/packages/espressopp/package.py @@ -0,0 +1,79 @@ +############################################################################## +# Copyright (c) 2013-2016, Lawrence Livermore National Security, LLC. +# Produced at the Lawrence Livermore National Laboratory. +# +# This file is part of Spack. +# Created by Todd Gamblin, tgamblin@llnl.gov, All rights reserved. +# LLNL-CODE-647188 +# +# For details, see https://github.com/llnl/spack +# Please also see the LICENSE file for our notice and the LGPL. +# +# This program is free software; you can redistribute it and/or modify +# it under the terms of the GNU Lesser General Public License (as +# published by the Free Software Foundation) version 2.1, February 1999. +# +# This program is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the IMPLIED WARRANTY OF +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the terms and +# conditions of the GNU Lesser General Public License for more details. +# +# You should have received a copy of the GNU Lesser General Public +# License along with this program; if not, write to the Free Software +# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA +############################################################################## + +from spack import * + + +class Espressopp(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/v1.9.4.1" + + version('develop', git='https://github.com/espressopp/espressopp.git', branch='master') + version('1.9.4.1', '0da74a6d4e1bfa6a2a24fca354245a4f') + version('1.9.4', 'f2a27993a83547ad014335006eea74ea') + + variant('debug', default=False, description='Build debug version') + 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@2:2.7.13") + depends_on("py-mpi4py@2.0.0:", when='@1.9.4', type='nolink') + depends_on("py-mpi4py@1.3.1:", when='@1.9.4.1:', type='nolink') + depends_on("fftw") + depends_on("py-sphinx", when="+ug", type='build') + depends_on("py-sphinx", when="+pdf", type='build') + depends_on("texlive", when="+pdf", type='build') + depends_on("doxygen", when="+dg", type='build') + + def cmake_args(self): + spec = self.spec + options = [] + options.extend(['-DEXTERNAL_MPI4PY=ON', '-DEXTERNAL_BOOST=ON']) + if '+debug' in spec: + options.extend(['-DCMAKE_BUILD_TYPE:STRING=Debug']) + else: + options.extend(['-DCMAKE_BUILD_TYPE:STRING=Release']) + + return options + + 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) |