[Debichem-devel] Bug#1000711: ITP: pymatgen-test-files -- test files for pymatgen

[Drew Parsons]

Package: wnpp
Severity: wishlist
Owner: Drew Parsons <dparsons at debian.org>
X-Debbugs-Cc: debian-devel at lists.debian.org, Debichem Team <debichem-devel at lists.alioth.debian.org>

* Package name    : pymatgen-test-files
  Version         : 2022.0.16
  Upstream Author : Shyue Ping Ong <ongsp at eng.ucsd.edu>
* URL             : Shyue Ping Ong <ongsp at eng.ucsd.edu>
* License         : MIT
  Programming Lang: Python
  Description     : test files for pymatgen

Pymatgen (Python Materials Genomics) is a robust, open-source Python
library for materials analysis.

This package provides pymatgen test files, used to test that the
pymatgen installation is functioning correctly.


These tests files are not provided in upstream pymatgen source
tarballs (the tarballs made available at the upstream project website,
distinct from their github repository), since their size is huge
(778MB).  The debian source package for pymatgen included them by
taking source tarballs from upstream github releases.

Upstream does not expect users (or distributions) to run these tests.
They run their own tests using github facilities.  But obviously for
the Debian distribution we want to run the tests at build time and in
debci.

We can expect that the test files will change much more slowly than
the pymatgen code itself.  This pymatgen-test-files source package is
intended to help make the size of the pymatgen package more reasonable
by splitting off the test files. pymatgen will be updated to honour
the nocheck build option to allow local builds without requiring
access to the large test file set.

To be maintained by the Debichem team alongside the main pymatgen
package.