OpenFreeEnergy / openfe

The Open Free Energy toolkit
https://docs.openfree.energy
MIT License
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Test rdkit mypy failure #817

Closed IAlibay closed 2 months ago

IAlibay commented 2 months ago

Quickly testing something whilst I'm looking at CI.

Mypy doesn't fail for me locally (python 3.11 build), so I'm not sure why it would fail in CI :/

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codecov[bot] commented 2 months ago

Codecov Report

All modified and coverable lines are covered by tests :white_check_mark:

Project coverage is 92.31%. Comparing base (775eced) to head (5ae5715). Report is 12 commits behind head on main.

Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #817 +/- ## ========================================== - Coverage 94.12% 92.31% -1.82% ========================================== Files 133 133 Lines 9767 9767 ========================================== - Hits 9193 9016 -177 - Misses 574 751 +177 ``` | [Flag](https://app.codecov.io/gh/OpenFreeEnergy/openfe/pull/817/flags?src=pr&el=flags&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=OpenFreeEnergy) | Coverage Δ | | |---|---|---| | [fast-tests](https://app.codecov.io/gh/OpenFreeEnergy/openfe/pull/817/flags?src=pr&el=flag&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=OpenFreeEnergy) | `92.31% <ø> (?)` | | | [slow-tests](https://app.codecov.io/gh/OpenFreeEnergy/openfe/pull/817/flags?src=pr&el=flag&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=OpenFreeEnergy) | `?` | | 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=OpenFreeEnergy#carryforward-flags-in-the-pull-request-comment) to find out more.

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mikemhenry commented 2 months ago

We can close this, fixed in https://github.com/OpenFreeEnergy/openfe/pull/824 tl;dr, I changed the rdkit version to 2023.09.5, it was pulling in 2023.09.6. I only made this change in the mypy CI so for our tests we still pull in the latest conda is happy with