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Patch existing openmmforcefields packages for an upstream behavior change #968

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@mattwthompson mattwthompson commented Feb 28, 2025

We made a bit of a snafu in a recent release of one of our packages - this is a patch that adds a constraint which fixes it. We have this constraint in the new builds - but that does not update the old builds as we all know.


Checklist

  • Used a static YAML file for the patch if possible (instructions).
  • Only wrote code directly into generate_patch_json.py if absolutely necessary.
  • Ran pre-commit run -a and ensured all files pass the linting checks.
  • Ran python show_diff.py and posted the output as part of the PR.
  • Modifications won't affect packages built in the future.
$ python recipe/show_diff.py --subdirs noarch
================================================================================
================================================================================
noarch
noarch::openmmforcefields-0.11.2-pyhd8ed1ab_0.tar.bz2
noarch::openmmforcefields-0.11.2-pyhd8ed1ab_1.tar.bz2
noarch::openmmforcefields-0.11.2-pyhd8ed1ab_2.conda
noarch::openmmforcefields-0.12.0-pyhd8ed1ab_0.conda
noarch::openmmforcefields-0.13.0-pyhd8ed1ab_0.conda
noarch::openmmforcefields-0.14.0-pyhd8ed1ab_0.conda
noarch::openmmforcefields-0.14.1-pyhd8ed1ab_0.conda
noarch::openmmforcefields-0.14.1-pyhd8ed1ab_1.conda
noarch::openmmforcefields-0.14.1-pyhd8ed1ab_2.conda
noarch::openmmforcefields-0.14.1-pyhd8ed1ab_3.conda
+    "openff-interchange <0.4.2",
noarch::openmmforcefields-0.10.0-pyhd8ed1ab_0.tar.bz2
noarch::openmmforcefields-0.11.0-pyhd8ed1ab_0.tar.bz2
noarch::openmmforcefields-0.11.1-pyhd8ed1ab_0.tar.bz2
noarch::openmmforcefields-0.11.1-pyhd8ed1ab_1.tar.bz2
noarch::openmmforcefields-0.9.0-pyhd8ed1ab_0.tar.bz2
+  "constrains": [
+    "openff-interchange <0.4.2"
+  ],
$

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Hi! This is the friendly automated conda-forge-linting service.

I just wanted to let you know that I linted all conda-recipes in your PR (recipe/meta.yaml) and found it was in an excellent condition.

@mattwthompson mattwthompson changed the title Openmmforcefields openff interchange Patch existing openmmforcefields packages for an upstream behavior change Feb 28, 2025
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CI looking good so far:

================================================================================
================================================================================
noarch
noarch::openmmforcefields-0.11.0-pyhd8ed1ab_0.tar.bz2
noarch::openmmforcefields-0.11.1-pyhd8ed1ab_0.tar.bz2
noarch::openmmforcefields-0.11.1-pyhd8ed1ab_1.tar.bz2
noarch::openmmforcefields-0.10.0-pyhd8ed1ab_0.tar.bz2
patching repodata:  33%|███▎      | 3/9 [03:29<07:01, 70.33s/it] 
noarch::openmmforcefields-0.9.0-pyhd8ed1ab_0.tar.bz2
+  "constrains": [
+    "openff-interchange <0.4.2"
+  ],
noarch::openmmforcefields-0.12.0-pyhd8ed1ab_0.conda
noarch::openmmforcefields-0.11.2-pyhd8ed1ab_0.tar.bz2
noarch::openmmforcefields-0.14.0-pyhd8ed1ab_0.conda
noarch::openmmforcefields-0.13.0-pyhd8ed1ab_0.conda
noarch::openmmforcefields-0.14.1-pyhd8ed1ab_3.conda
noarch::openmmforcefields-0.11.2-pyhd8ed1ab_1.tar.bz2
noarch::openmmforcefields-0.14.1-pyhd8ed1ab_0.conda
noarch::openmmforcefields-0.11.2-pyhd8ed1ab_2.conda
noarch::openmmforcefields-0.14.1-pyhd8ed1ab_2.conda
noarch::openmmforcefields-0.14.1-pyhd8ed1ab_1.conda
+    "openff-interchange <0.4.2",
patching repodata:  44%|████▍     | 4/9 [03:53<04:19, 52.00s/it]

I think it just has to chew away at the unrelated subdirs now

https://github.com/conda-forge/conda-forge-repodata-patches-feedstock/actions/runs/13595332239/job/38010797579?pr=968#step:3:1053

@mattwthompson mattwthompson marked this pull request as ready for review February 28, 2025 19:58
@mattwthompson mattwthompson requested a review from a team as a code owner February 28, 2025 19:58
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