codecov[bot]
commented
1 year ago Codecov Report
Patch and project coverage have no change.
Comparison is base (
d644768) 79.63% compared to head (741e15c) 79.63%.
Additional details and impacted files
```diff @@ Coverage Diff @@ ## master #498 +/- ## ======================================= Coverage 79.63% 79.63% ======================================= Files 27 27 Lines 3752 3752 ======================================= Hits 2988 2988 Misses 764 764 ``` | Flag | Coverage Δ | | |---|---|---| | python-3.10 | `79.63% <ø> (ø)` | | | python-3.8 | `79.67% <ø> (?)` | | | python-3.9 | `79.67% <ø> (?)` | | Flags with carried forward coverage won't be shown. [Click here](https://docs.codecov.io/docs/carryforward-flags?utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=aiidalab#carryforward-flags-in-the-pull-request-comment) to find out more.:umbrella: View full report in Codecov by Sentry.
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danielhollas
yakutovicha
scikit-learn build for version 0.24 started failing due to new version of Cython so we bump the version to 1.0. Per docs, this version does not bring any breaking changes. https://scikit-learn.org/1.0/auto_examples/release_highlights/plot_release_highlights_1_0_0.html
We also only use the sklearn.PCA in SMILES widget, I've verified that it still works and checked the release notes that there are not API changes to this method. https://scikit-learn.org/1.0/whats_new/v1.0.html#changes-1-0
In the near future I'd like to get rid of scikit-learn altogether since it is a very heavy dependency and we only use it for PCA to reorient the molecules generated from SMILES by RDkit. I have a suspicion that this step is not really needed, and if it is, we can simply vendor the PCA function.