ARM OSX Migrator

[regro-cf-autotick-bot]

This feedstock is being rebuilt as part of the ARM OSX migration.

Feel free to merge the PR if CI is all green, but please don't close it without reaching out the the ARM OSX team first at @conda-forge/help-osx-arm64.

If this PR was opened in error or needs to be updated please add the bot-rerun label to this PR. The bot will close this PR and schedule another one. If you do not have permissions to add this label, you can use the phrase code>@<space/conda-forge-admin, please rerun bot in a PR comment to have the conda-forge-admin add it for you.

_{This PR was created by the regro-cf-autotick-bot. The regro-cf-autotick-bot is a service to automatically track the dependency graph, migrate packages, and propose package version updates for conda-forge. Feel free to drop us a line if there are any issues! This PR was generated by https://github.com/regro/cf-scripts/actions/runs/6900435385, please use this URL for debugging.}

[conda-forge-webservices[bot]]

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.

[mabraham]

The underlying scripts need work to remove the assumption that the build target and runtime environment are x86

[mabraham]

The nompi OSX builds are now fine, but somehow the openmpi osx package is not installed (I think - it's not found by GROMACS CMake anyway). It should exist (per https://anaconda.org/conda-forge/openmpi). I'm inclined to just disable those build configurations, as MPI clusters of ARM macs are going to be pretty rare, and if a user really wants to run multi-sim on their ARM Mac laptop they can still build from source.

[xiki-tempula]

I agree @mabraham. Shall these two builds in the azure pipeline get disabled and this PR merged?

[mabraham]

I agree @mabraham. Shall these two builds in the azure pipeline get disabled and this PR merged?

Yes I think so

[xiki-tempula]

Hi @jan-janssen , I wonder if I could get some of your help to get this PR merged? We would like to disable the MPI variants for the osx_arm64 build but I'm not sure of how do do it. I guess one need to modify the conda_build_config.yaml file, which is currently

mpi:
  - openmpi
  - nompi
double:
  - no
  - yes

And add a skip line to the openmpi. Like

mpi:
  - openmpi [skip osx_arm64]
  - nompi
double:
  - no
  - yes

But I'm not very familiar with the syntax, do you mind give me a hand on this, please? Thanks.

[jan-janssen]

In the meta.yaml file I would try something like:

  skip: true  # [mpi != 'nompi' and osx and build_platform != target_platform]

[xiki-tempula]

@conda-forge-admin, please restart ci

[xiki-tempula]

@mabraham Hi Mark, do you know why is the pipeline failing now? I tried to disable the MPI build for the OSX-arm64 in the PR https://github.com/conda-forge/gromacs-feedstock/pull/32, but it seems that all the pipelines are failing. Then I check this PR and it seems that the pipelines are failing here as well.

[mabraham]

@mabraham Hi Mark, do you know why is the pipeline failing now? I tried to disable the MPI build for the OSX-arm64 in the PR #32, but it seems that all the pipelines are failing. Then I check this PR and it seems that the pipelines are failing here as well.

This patch is now working apart from OSX+OpenMPI. No other OSX can work without this change. So we need to combine your changes from #32 into here.

[douglowe]

I think it would be better to replace this PR with a PR from @xiki-tempula - as I don't think we have write access to the bot repositories.

I'm still confused as to whey @xiki-tempula's PR doesn't quite work - so we'll have to have more of a think about this.

[xiki-tempula]

@conda-forge-admin, please restart ci