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| author | Anthony Scemama <scemama@irsamc.ups-tlse.fr> | 2020-02-26 14:27:02 +0100 |
|---|---|---|
| committer | GitHub <noreply@github.com> | 2020-02-26 07:27:02 -0600 |
| commit | 1c227db7a9e829ab6637b29cfcd80d2b6b3db38b (patch) | |
| tree | 329d6bf85398c492381c9d67c1c1b4e7aaa9b68d | |
| parent | a568db00b8abee1732e162310f1d2cfb20590155 (diff) | |
| download | spack-1c227db7a9e829ab6637b29cfcd80d2b6b3db38b.tar.gz spack-1c227db7a9e829ab6637b29cfcd80d2b6b3db38b.tar.bz2 spack-1c227db7a9e829ab6637b29cfcd80d2b6b3db38b.tar.xz spack-1c227db7a9e829ab6637b29cfcd80d2b6b3db38b.zip | |
Basis set exchange command-line tool (#15126)
* 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>
| -rw-r--r-- | var/spack/repos/builtin/packages/py-basis-set-exchange/package.py | 33 |
1 files changed, 33 insertions, 0 deletions
diff --git a/var/spack/repos/builtin/packages/py-basis-set-exchange/package.py b/var/spack/repos/builtin/packages/py-basis-set-exchange/package.py new file mode 100644 index 0000000000..92cd2b6d72 --- /dev/null +++ b/var/spack/repos/builtin/packages/py-basis-set-exchange/package.py @@ -0,0 +1,33 @@ +# 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') |