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Added workflow_dispatch trigger and updated Python version matrix to include 3.14. Updated checkout action to v6.
IAlibay
commented
Mar 19, 2026
| python-version: ["3.11", "3.12", "3.13", "3.14"] | ||
| os: [ubuntu-latest, macos-15-intel, macos-latest] | ||
| include: | ||
| - rdkit-version: "2021" |
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As far as I can tell, this only existed because we used to have a situation where we wanted to have support for old versions of rdkit (2018) and then also wanted to update to 2021. Now we're pretty much all 2024+, so it would be ok to just drop it in my opinion.
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Added workflow_dispatch trigger and updated Python version matrix to include 3.14. Updated checkout action to v6.