espressopp -> py-espressopp (#5732)

* espressopp -> py-espressopp * Update package.py
2017-10-13 13:28:36 -06:00
parent e17765db39
commit 23e801923d
1 changed files with 6 additions and 2 deletions
--- a/var/spack/repos/builtin/packages/py-espressopp/package.py
+++ b/var/spack/repos/builtin/packages/py-espressopp/package.py
@@ -0,0 +1,78 @@
+##############################################################################
+# Copyright (c) 2013-2017, 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 NOTICE and LICENSE files 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 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/v1.9.4.1"
+
+    version('develop', git='https://github.com/espressopp/espressopp.git', branch='master')
+    version('1.9.5', '13a93c30b07132b5e5fa0d828aa17d79')
+    version('1.9.4.1', '0da74a6d4e1bfa6a2a24fca354245a4f')
+    version('1.9.4', 'f2a27993a83547ad014335006eea74ea')
+
+    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', 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)