Build 8.2 beta

[peastman]

Checklist

• Used a personal fork of the feedstock to propose changes
• Reset the build number to 0 (if the version changed)
• Re-rendered with the latest conda-smithy (Use the phrase @conda-forge-admin, please rerender in a comment in this PR for automated rerendering)

[peastman]

@conda-forge-admin, please rerender

[github-actions]

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.

[peastman]

@mikemhenry can you review? All the builds so far are passing.

[mikemhenry]

We need to target the rc branch instead of main, other than that it looks good!

[mikemhenry]

It looks like I have the power to do that, I will give it a go

[mikemhenry]

@conda-forge-admin, please rerender

[mikemhenry]

If the re-render doesn't work I will rebase -- drop all the commits except 9bb5ff1 then do a re-render and that should fix the conflicts

[github-actions]

Hi! This is the friendly automated conda-forge-webservice.

I tried to rerender for you, but it looks like there was nothing to do.

This message was generated by GitHub actions workflow run https://github.com/conda-forge/openmm-feedstock/actions/runs/11055562660.

[github-actions]

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.

I do have some suggestions for making it better though...

For recipe/meta.yaml:

• In conda-forge.yml: $.test_on_native_only = True.

  'Test On Native Only' is deprecated.
  This was used for disabling testing for cross-compiling.

  This has been deprecated in favor of the top-level `test` field.
  It is now mapped to `test: native_and_emulated`.
  

  Schema

  {
    "anyOf": [
      {
        "type": "boolean"
      },
      {
        "type": "null"
      }
    ],
    "default": false,
    "deprecated": true,
    "title": "Test On Native Only"
  }

[mikemhenry]

@conda-forge-admin, please rerender

[github-actions]

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

I wanted to let you know that I linted all conda-recipes in your PR (recipe/meta.yaml) and found some lint.

Here's what I've got...

For recipe/meta.yaml:

• There are 1 too many lines. There should be one empty line at the end of the file.

[mikemhenry]

Can you double check that these look correct @peastman

recipe/conda_build_config.yaml
recipe/meta.yaml

I think we can drop the scipy pin if this beta includes the fix for that issue

[peastman]

We need to target the rc branch instead of main, other than that it looks good!

Oops, thanks for catching that!

I think we can drop the scipy pin if this beta includes the fix for that issue

Good point. I just removed it.

[github-actions]

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.

[mikemhenry]

I think we lost a rendering somewhere--I re-rendered it locally, hopefully this fixes the build

[mikemhenry]

seeing this weird thing again:

2024-09-26T16:48:23.0615574Z     self.link(
2024-09-26T16:48:23.0616392Z   File "/home/conda/feedstock_root/build_artifacts/openmm_1727368614993/_h_env_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_placehold_plac/lib/pypy3.9/site-packages/setuptools/_distutils/unixccompiler.py", line 268, in link
2024-09-26T16:48:23.0616885Z     linker = (
2024-09-26T16:48:23.0617231Z TypeError: 'NoneType' object is not subscriptable (key slice(None, None, None))
2024-09-26T16:48:23.0769746Z [100%] Built target PythonInstall

[peastman]

That's the same error we got in #139. In that case, rerendering fixed it.

[peastman]

@conda-forge-admin, please rerender

[peastman]

The tests passed this time. It's ready to merge as far as I'm concerned.

[mikemhenry]

MNT: Re-rendered with conda-build 24.9.0, conda-smithy 3.40.1, and conda-forge-pinning 2024.09.26.07.35.45
MNT: Re-rendered with conda-build 24.3.0, conda-smithy 3.40.1, and conda-forge-pinning 2024.09.26.07.35.45

weird, I don't understand how re-rendering it did anything since the versions are the same... but yes this looks good! I will let people in the OpenMM ecosystem know there is a beta to test! 🚀

[mikemhenry]

I will keep an eye on the CI to make sure the builds get uploaded
https://dev.azure.com/conda-forge/feedstock-builds/_build/results?buildId=1038423&view=results

[peastman]

Hold off on making any announcements. The next step is to build the HIP package. Once everything is successfully built, then we can announce it.

[mikemhenry]

grumble, one build failed win win_64_cuda_compilernvcccuda_compiler_version11.8numpy1.26python3.12.____cpython since this is just the rc, I am inclined to not worry about it unless someone really needs that build for testing. The failure was just in uploading the package.