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Diffstat (limited to 'var/spack/repos/builtin/packages/py-abipy/package.py')
| -rw-r--r-- | var/spack/repos/builtin/packages/py-abipy/package.py | 77 |
1 files changed, 77 insertions, 0 deletions
diff --git a/var/spack/repos/builtin/packages/py-abipy/package.py b/var/spack/repos/builtin/packages/py-abipy/package.py new file mode 100644 index 0000000000..d113512f50 --- /dev/null +++ b/var/spack/repos/builtin/packages/py-abipy/package.py @@ -0,0 +1,77 @@ +############################################################################## +# 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 |