shirtsgroup / physical_validation

Physical validation of molecular simulations
https://physical-validation.readthedocs.io
MIT License
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Fix kinetic energy regression plot #196

Closed ptmerz closed 2 years ago

ptmerz commented 2 years ago

Updating matplotlib from 2.4.x to 2.5 leads to small but noticeable differences in the kinetic energy plot of the corresponding regression test.

It would be great to pin our requirements in the test environment and use dependabot to update them, but it seems that currently conda is not supported. I think that under these circumstances, having the tests break when the non-pinned version changes some of the output is actually safer than pinning them. The tests may fail for a few days before we fix it, but at least we actually notice that a new version changed some of the output and we can assess if that is a problem or just a minor difference for which we will simply update the reference files.

Status

codecov[bot] commented 2 years ago

Codecov Report

Merging #196 (16998f6) into master (558d2fc) will not change coverage. The diff coverage is n/a.