mosdef-hub / mbuild

A hierarchical, component based molecule builder
https://mbuild.mosdef.org
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Add testing for py3.10 and 3.11 #1110

Closed daico007 closed 1 year ago

daico007 commented 1 year ago

PR Summary:

I think it's time we need to add support/test for python 3.10 and 3.11.

PR Checklist


daico007 commented 1 year ago

Depends on how py3.11 do, we may want to drop testing for python 3.8

daico007 commented 1 year ago

I don't think I can add the 3.10 and 3.11 requirement until this PR is merged. So I may have to merge this first fix things in a follow up PR.

codecov[bot] commented 1 year ago

Codecov Report

Patch coverage: 66.66% and project coverage change: -2.62 :warning:

Comparison is base (e79447b) 89.51% compared to head (1a47e5c) 86.89%.

Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #1110 +/- ## ========================================== - Coverage 89.51% 86.89% -2.62% ========================================== Files 61 61 Lines 6311 6317 +6 ========================================== - Hits 5649 5489 -160 - Misses 662 828 +166 ``` | [Impacted Files](https://app.codecov.io/gh/mosdef-hub/mbuild/pull/1110?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=mosdef-hub) | Coverage Δ | | |---|---|---| | [mbuild/lib/recipes/alkane.py](https://app.codecov.io/gh/mosdef-hub/mbuild/pull/1110?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=mosdef-hub#diff-bWJ1aWxkL2xpYi9yZWNpcGVzL2Fsa2FuZS5weQ==) | `40.00% <66.66%> (+1.11%)` | :arrow_up: | ... and [9 files with indirect coverage changes](https://app.codecov.io/gh/mosdef-hub/mbuild/pull/1110/indirect-changes?src=pr&el=tree-more&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=mosdef-hub)

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daico007 commented 1 year ago

Ok, turn out hoomd 2.9 is not compatible with python>3.9, so we probably may have to drop it moving forward (and replace with hoomd 3).