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Test on Python 3.11 #1631

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merged 1 commit into from
Aug 3, 2023
Merged

Test on Python 3.11 #1631

merged 1 commit into from
Aug 3, 2023

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mattwthompson
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@mattwthompson mattwthompson commented Jun 7, 2023 •
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  • Add NAGL back if its recipe is split (somehow this works now?)
  • Think about if there's an easier way to workaround Interchange adhering to the toolkit's packaged Python pin
  • Update examples environments/workflow already only running on only one Python version, can do this if desired

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codecov bot commented Jun 7, 2023 •
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Codecov Report

Merging #1631 (01d759c) into main (da29747) will not change coverage.
The diff coverage is n/a.

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@mattwthompson mattwthompson marked this pull request as ready for review June 7, 2023 19:04
@j-wags j-wags changed the title Test on Python 3.11 without AmberTools [Waiting on AmberTools with py3.11 support] Test on Python 3.11 Jun 14, 2023
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j-wags commented Jun 14, 2023

The cost/benefit of complicating the testing infrastructure to sidestep the unavailability of AT on python 3.11 here doesn't seem worth it. Once AT is available for py3.11 I'll be happy to enable this testing and update the package recipe.

@mattwthompson mattwthompson changed the title [Waiting on AmberTools with py3.11 support] Test on Python 3.11 Test on Python 3.11 Jun 27, 2023
@mattwthompson mattwthompson reopened this Jun 27, 2023
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The complexities here are because of how the toolkit is packaged, not because of AmberTools.

This will at least assess whether or not the test suite passes with 3.11

@mattwthompson mattwthompson marked this pull request as draft June 27, 2023 16:22
@mattwthompson mattwthompson modified the milestones: 0.14.0, 0.14.1 Jun 29, 2023
@j-wags j-wags marked this pull request as ready for review July 5, 2023 19:20
@mattwthompson mattwthompson modified the milestones: 0.14.1, 0.14.2 Aug 3, 2023
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Thanks to unspecified magic happening upstream, this is actually working without much complexity!

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j-wags approved these changes Aug 3, 2023
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Approved pending tests passing! (Excluding RTD)

@mattwthompson mattwthompson merged commit ae9500b into main Aug 3, 2023
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@mattwthompson mattwthompson deleted the openeye-311-tests branch August 3, 2023 20:53
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