78 lines
3.4 KiB
Python
78 lines
3.4 KiB
Python
##############################################################################
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# Copyright (c) 2013-2017, Lawrence Livermore National Security, LLC.
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# Produced at the Lawrence Livermore National Laboratory.
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#
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# This file is part of Spack.
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# Created by Todd Gamblin, tgamblin@llnl.gov, All rights reserved.
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# LLNL-CODE-647188
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#
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# For details, see https://github.com/llnl/spack
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# Please also see the NOTICE and LICENSE files for our notice and the LGPL.
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#
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# This program is free software; you can redistribute it and/or modify
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# it under the terms of the GNU Lesser General Public License (as
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# published by the Free Software Foundation) version 2.1, February 1999.
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#
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# This program is distributed in the hope that it will be useful, but
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# WITHOUT ANY WARRANTY; without even the IMPLIED WARRANTY OF
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# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the terms and
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# conditions of the GNU Lesser General Public License for more details.
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#
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# You should have received a copy of the GNU Lesser General Public
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# License along with this program; if not, write to the Free Software
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# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
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##############################################################################
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from spack import *
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class PyAbipy(PythonPackage):
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"""Python package to automate ABINIT calculations and analyze
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the results."""
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homepage = "https://github.com/abinit/abipy"
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url = "https://pypi.io/packages/source/a/abipy/abipy-0.2.0.tar.gz"
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version('0.2.0', 'af9bc5cf7d5ca1a56ff73e2a65c5bcbd')
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variant('gui', default=False, description='Build the GUI')
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variant('ipython', default=False, description='Build IPython support')
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extends('python', ignore='bin/(feff_.*|gaussian_analyzer|get_environment|html2text|nc3tonc4|nc4tonc3|ncinfo|pmg|pydii|tabulate|tqdm)')
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depends_on('python@2.7:')
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depends_on('py-setuptools', type='build')
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depends_on('py-cython', type='build')
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depends_on('py-six', type=('build', 'run'))
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depends_on('py-prettytable', type=('build', 'run'))
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depends_on('py-tabulate', type=('build', 'run'))
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depends_on('py-apscheduler@2.1.0', type=('build', 'run'))
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depends_on('py-pydispatcher@2.0.5:', type=('build', 'run'))
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depends_on('py-tqdm', type=('build', 'run'))
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depends_on('py-html2text', type=('build', 'run'))
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depends_on('py-pyyaml@3.11:', type=('build', 'run'))
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depends_on('py-pandas', type=('build', 'run'))
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depends_on('py-numpy@1.9:', type=('build', 'run'))
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depends_on('py-scipy@0.14:', type=('build', 'run'))
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depends_on('py-spglib', type=('build', 'run'))
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depends_on('py-pymatgen@4.7.2:', type=('build', 'run'))
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depends_on('py-netcdf4', type=('build', 'run'))
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depends_on('py-matplotlib@1.5:', type=('build', 'run'))
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depends_on('py-seaborn', type=('build', 'run'))
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depends_on('py-wxpython', type=('build', 'run'), when='+gui')
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depends_on('py-wxmplot', type=('build', 'run'), when='+gui')
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depends_on('py-ipython', type=('build', 'run'), when='+ipython')
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depends_on('py-jupyter', type=('build', 'run'), when='+ipython')
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depends_on('py-nbformat', type=('build', 'run'), when='+ipython')
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def build_args(self, spec, prefix):
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args = []
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if '+ipython' in spec:
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args.append('--with-ipython')
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return args
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