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Add abipy package and dependencies (#3352)

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* Add abipy package and dependencies

* Add first official release of py-abipy

* Ignore files from dependencies during activation
This commit is contained in:
Adam J. Stewart
2017-03-29 11:13:23 -05:00
committed by GitHub
parent 441170f316
commit 46251eb559
13 changed files with 459 additions and 15 deletions
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var/spack/repos/builtin/packages/py-abipy/package.py Normal file
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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 PyAbipy(PythonPackage):
"""Python package to automate ABINIT calculations and analyze
the results."""
homepage = "https://github.com/abinit/abipy"
url = "https://pypi.io/packages/source/a/abipy/abipy-0.2.0.tar.gz"
version('0.2.0', 'af9bc5cf7d5ca1a56ff73e2a65c5bcbd')
variant('gui', default=False, description='Build the GUI')
variant('ipython', default=False, description='Build IPython support')
extends('python', ignore='bin/(feff_.*|gaussian_analyzer|get_environment|html2text|nc3tonc4|nc4tonc3|ncinfo|pmg|pydii|tabulate|tqdm)')
depends_on('python@2.7:')
depends_on('py-setuptools', type='build')
depends_on('py-cython', type='build')
depends_on('py-six', type=('build', 'run'))
depends_on('py-prettytable', type=('build', 'run'))
depends_on('py-tabulate', type=('build', 'run'))
depends_on('py-apscheduler@2.1.0', type=('build', 'run'))
depends_on('py-pydispatcher@2.0.5:', type=('build', 'run'))
depends_on('py-tqdm', type=('build', 'run'))
depends_on('py-html2text', type=('build', 'run'))
depends_on('py-pyyaml@3.11:', type=('build', 'run'))
depends_on('py-pandas', type=('build', 'run'))
depends_on('py-numpy@1.9:', type=('build', 'run'))
depends_on('py-scipy@0.14:', type=('build', 'run'))
depends_on('py-spglib', type=('build', 'run'))
depends_on('py-pymatgen@4.7.2:', type=('build', 'run'))
depends_on('py-netcdf4', type=('build', 'run'))
depends_on('py-matplotlib@1.5:', type=('build', 'run'))
depends_on('py-seaborn', type=('build', 'run'))
depends_on('py-wxpython', type=('build', 'run'), when='+gui')
depends_on('py-wxmplot', type=('build', 'run'), when='+gui')
depends_on('py-ipython', type=('build', 'run'), when='+ipython')
depends_on('py-jupyter', type=('build', 'run'), when='+ipython')
depends_on('py-nbformat', type=('build', 'run'), when='+ipython')
def build_args(self, spec, prefix):
args = []
if '+ipython' in spec:
args.append('--with-ipython')
return args