diff options
| -rw-r--r-- | var/spack/repos/builtin/packages/py-espresso/package.py | 52 |
1 files changed, 52 insertions, 0 deletions
diff --git a/var/spack/repos/builtin/packages/py-espresso/package.py b/var/spack/repos/builtin/packages/py-espresso/package.py new file mode 100644 index 0000000000..32069b9389 --- /dev/null +++ b/var/spack/repos/builtin/packages/py-espresso/package.py @@ -0,0 +1,52 @@ +############################################################################## +# 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 PyEspresso(CMakePackage): + """ESPResSo is a highly versatile software package for performing and + analyzing scientific Molecular Dynamics many-particle simulations of + coarse-grained atomistic or bead-spring models as they are used in + soft matter research in physics, chemistry and molecular biology. It + can be used to simulate systems such as polymers, liquid crystals, + colloids, polyelectrolytes, ferrofluids and biological systems, for + example DNA and lipid membranes. It also has a DPD and lattice + Boltzmann solver for hydrodynamic interactions, and allows several + particle couplings to the LB fluid. + """ + homepage = "http://espressomd.org/" + url = "https://github.com/espressomd/espresso/tarball/v4.0" + + version('develop', git='https://github.com/espressomd/espresso.git', branch='python') + + depends_on("cmake@3.0:", type='build') + depends_on("mpi") + depends_on("boost+serialization+filesystem+system+python+mpi") + extends("python") + depends_on("python") + depends_on("py-cython@0.23:") + depends_on("py-numpy") + depends_on("fftw") |