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Basis set exchange command-line tool (#15126)

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* Flake8 OK

* Update var/spack/repos/builtin/packages/py-basis-set-exchange/package.py

Co-Authored-By: Adam J. Stewart <ajstewart426@gmail.com>

* Update var/spack/repos/builtin/packages/py-basis-set-exchange/package.py

Co-Authored-By: Adam J. Stewart <ajstewart426@gmail.com>

* Added missing dependencies proposed by @adamjstewart

* Without py-versioneer

* Added py-versioneer

* Python2 for bse

* Python build error

* Update var/spack/repos/builtin/packages/py-basis-set-exchange/package.py

Co-Authored-By: Adam J. Stewart <ajstewart426@gmail.com>

* Removed py-versioneer, according to @adamjstewart

Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
This commit is contained in:
Anthony Scemama
2020-02-26 14:27:02 +01:00
committed by GitHub
parent a568db00b8
commit 1c227db7a9
1 changed files with 33 additions and 0 deletions
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var/spack/repos/builtin/packages/py-basis-set-exchange/package.py Normal file
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# Copyright 2013-2020 Lawrence Livermore National Security, LLC and other
# Spack Project Developers. See the top-level COPYRIGHT file for details.
#
# SPDX-License-Identifier: (Apache-2.0 OR MIT)
from spack import *
class PyBasisSetExchange(PythonPackage):
"""Command-line interface for the Basis Set Exchange Website"""
homepage = "https://www.basissetexchange.org"
url = "https://github.com/MolSSI-BSE/basis_set_exchange/archive/v0.8.12.tar.gz"
maintainers = ['bennybp', 'scemama']
version('0.8.12', sha256='41f0242e2c11392c511d3308c0345e14b0eb3344686d865bdfcb48257910fc0d')
version('0.8.11', sha256='dbd4cf9382d97b79a3143c6b2086d1d24562bd13e0ab0d18fc0423b9ee877b9b')
version('0.8.10', sha256='7f974faf513791d59ef47dd4eba9d8386f75bbd85f253ca5c08732ff56004a57')
version('0.8.9', sha256='faf01a00c8ef7cf7331562052fbf1ff861e901545a927310ab09ac03604b400b')
version('0.8.8', sha256='4770bc901b93bfbf1aa5e1c4b486804753b3ff19c41794d3200ffe990b12dfa1')
version('0.8.7', sha256='5e9e18ca84bd378d1e02b6543cee122d8cc4efeaf05b1801061b500dda4cb2fc')
version('0.8.6', sha256='96da4ab45adaab11825917dc4cf0e236f5d2f0af0f2e026578262ce389784912')
version('0.8.5', sha256='ff8e6e03474319245e641c9da05715a6ea90dccab0e60ad2b0bc8556f85a9bca')
version('0.8.4', sha256='005f95794ce55f1b1e8faa0b6910b814819dd4ee9dba367a3ec29dfe53816684')
version('0.8.3', sha256='0721f3cf55f588f62d74a408bccdd44046ebeaab8ec802c02fae7983d8f0359f')
depends_on('py-argcomplete', type=('build', 'run'))
depends_on('py-jsonschema', type=('build', 'run'))
depends_on('py-setuptools', type='build')
depends_on('python@3:', type=('build', 'run'))
depends_on('py-pytest@4.0:', type='test')
depends_on('py-pytest-cov', type='test')