Feat/fix swing rebuild cuda118 0 1 hf015d0

[mikemhenry]

Checklist

• Used a personal fork of the feedstock to propose changes
• Bumped the build number (if the version is unchanged)
• 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)
• Ensured the license file is being packaged.

[conda-forge-webservices]

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) and found it was in an excellent condition.

[jakirkham]

Thanks Mike! 🙏

Seeing this in one CI failure

  Traceback (most recent call last):
    File "/home/conda/feedstock_root/build_artifacts/meld_1702062541040/work/meld/comm.py", line 421, in _get_mpi_comm_world
      from mpi4py import MPI  # type: ignore
      ^^^^^^^^^^^^^^^^^^^^^^
  ModuleNotFoundError: No module named 'mpi4py'

It looks like mpi4py is declared in test/requires. Should we move it to requirements/run?

meld-feedstock/recipe/meta.yaml

Lines 53 to 56 in 86e90df

	test:
	requires:
	- mpich
	- mpi4py

Edit: The error before it is interesting too

  ValueError: mutable default <class 'openmm.unit.quantity.Quantity'> for field pressure is not allowed: use default_factory

Edit 2: Looks similar to this user error ( maccallumlab/meld#133 (comment) ). Guessing it has something to do with this line upstream

Edit 3: Filed upstream issue ( maccallumlab/meld#160 )

Edit 4: Looks like this was fixed in PR ( maccallumlab/meld#157 )

[mikemhenry]

Thanks! I will add another patch so we can fix this while we wait for upstream to cut a release

[jakirkham]

@conda-forge-admin , please re-render

[mikemhenry]

Oh wow a blast from the past -- did upstream make a release or do we need a patch still?

[jakirkham]

Hey Mike 👋

AFAICT we still need the patch

Was going back through CUDA 11.8 PRs as we are planning to drop CUDA 11.2 support soon: conda-forge/conda-forge-pinning-feedstock#5339

Trying to see if we can get PRs (like this one) across the line. So that there will be a working CUDA 11 build after

[mikemhenry]

Thanks! I will add another patch so we can fix this while we wait for upstream to cut a release