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Rebuild for openmpi 5#147

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mattwthompson merged 2 commits into
conda-forge:mainfrom
regro-cf-autotick-bot:rebuild-openmpi5-0-1_hb949d5
Jun 13, 2024
Merged

Rebuild for openmpi 5#147
mattwthompson merged 2 commits into
conda-forge:mainfrom
regro-cf-autotick-bot:rebuild-openmpi5-0-1_hb949d5

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This PR has been triggered in an effort to update openmpi5.

Notes and instructions for merging this PR:

  1. Please merge the PR only after the tests have passed.
  2. Feel free to push to the bot's branch to update this PR if needed.

Please note that if you close this PR we presume that the feedstock has been rebuilt, so if you are going to perform the rebuild yourself don't close this PR until the your rebuild has been merged.


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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 - please use this URL for debugging.

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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) and found it was in an excellent condition.

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@mattwthompson Shall we merge this PR? I kind of want to install ambertools with the latest version of Gromacs which is already rebuild with openmpi 5. The current ambertools is still build with openmpi 4 so would conflict with the latest version of gromacs.

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I guess - it'd be nice to hear from the Amber folks on these changes, though. I don't know the codebase as well as them

@mattwthompson mattwthompson left a comment

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Trusting the automation

@mattwthompson mattwthompson merged commit 93c2b7d into conda-forge:main Jun 13, 2024
@regro-cf-autotick-bot regro-cf-autotick-bot deleted the rebuild-openmpi5-0-1_hb949d5 branch June 13, 2024 14:56
@dacase

dacase commented Jun 13, 2024

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I'm not opposed to using openmpi 5, although I've not tested it myself.

Two questions from my end:

  1. Is there a way I can install (provisionally) ambertools=24? I could then run a much more complete test suite.
  2. Is there some feature that is still holding up a general release? If so, is it still worth considering releasing a package without that feature? There's no real rush here, but it there is an advantage in getting even a serial-only package posted, since that is what most folks need. Future dot updates could then add MPI and/or CUDA.

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Everything related to AmberTools 24 is in #141 - what the release would look like and what's holding back the builds

These builds are still iterating on 23

@mattwthompson mattwthompson mentioned this pull request Jun 13, 2024
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4 participants