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Commit 4bd05d0c authored by John Roberts's avatar John Roberts Committed by Adam J. Stewart
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Py ase (#4517)

* py-ase: Adding python package py-ase.

* py-ase: Adding Python package py-ase.

* py-ase: Shortened package description.

* py-ase: Splitting package description to multiple lines to avoid char count max.

* py-ase: Removing trailing whitespace. Local flake8 tests passed now that flake8 is working for me.
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##############################################################################
# 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'))
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