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authorAnthony Scemama <scemama@irsamc.ups-tlse.fr>2020-02-26 14:27:02 +0100
committerGitHub <noreply@github.com>2020-02-26 07:27:02 -0600
commit1c227db7a9e829ab6637b29cfcd80d2b6b3db38b (patch)
tree329d6bf85398c492381c9d67c1c1b4e7aaa9b68d
parenta568db00b8abee1732e162310f1d2cfb20590155 (diff)
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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.py33
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')