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| -rw-r--r-- | var/spack/repos/builtin/packages/py-ase/package.py | 39 |
1 files changed, 39 insertions, 0 deletions
diff --git a/var/spack/repos/builtin/packages/py-ase/package.py b/var/spack/repos/builtin/packages/py-ase/package.py new file mode 100644 index 0000000000..8800826ce5 --- /dev/null +++ b/var/spack/repos/builtin/packages/py-ase/package.py @@ -0,0 +1,39 @@ +############################################################################## +# 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 PyAse(PythonPackage): + """The Atomic Simulation Environment (ASE) is a set of tools + and Python modules for setting up, manipulating, running, + visualizing and analyzing atomistic simulations.""" + + homepage = "https://wiki.fysik.dtu.dk/ase/" + url = "https://pypi.io/packages/source/a/ase/ase-3.13.0.tar.gz" + + version('3.13.0', 'e946a0addc5b61e5e2e75857e0f99b89') + + depends_on('python@2.6:') + depends_on('py-numpy', type=('build', 'run')) |