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{bio,tools}[foss/2024a,gfbf/2024a] GROMACS v2024.3, networkx v3.3#21609

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maxim-masterov wants to merge 7 commits intoeasybuilders:developfrom
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{bio,tools}[foss/2024a,gfbf/2024a] GROMACS v2024.3, networkx v3.3#21609
maxim-masterov wants to merge 7 commits intoeasybuilders:developfrom
maxim-masterov:gromacs_2024a

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@maxim-masterov
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@maxim-masterov maxim-masterov commented Oct 9, 2024

(created using eb --new-pr)

Depends on:

@maxim-masterov maxim-masterov added update 2024a issues & PRs related to 2024a common toolchains labels Oct 9, 2024
@SebastianAchilles SebastianAchilles added this to the 4.x milestone Nov 14, 2024
@SebastianAchilles
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@boegelbot please test @ jsc-zen3
CORE_CNT=16

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@SebastianAchilles: Request for testing this PR well received on jsczen3l1.int.jsc-zen3.fz-juelich.de

PR test command 'if [[ develop != 'develop' ]]; then EB_BRANCH=develop ./easybuild_develop.sh 2> /dev/null 1>&2; EB_PREFIX=/home/boegelbot/easybuild/develop source init_env_easybuild_develop.sh; fi; EB_PR=21609 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_21609 --ntasks="16" ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

  • exit code: 0
  • output:
Submitted batch job 5275

Test results coming soon (I hope)...

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- notification for comment with ID 2475924636 processed

Message to humans: this is just bookkeeping information for me,
it is of no use to you (unless you think I have a bug, which I don't).

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Test report by @boegelbot
FAILED
Build succeeded for 1 out of 2 (2 easyconfigs in total)
jsczen3c2.int.jsc-zen3.fz-juelich.de - Linux Rocky Linux 9.4, x86_64, AMD EPYC-Milan Processor (zen3), Python 3.9.18
See https://gist.github.com/boegelbot/53d8f95805b88f9cf6f2d36b897f5ad4 for a full test report.

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Thyre commented Oct 9, 2025

@maxim-masterov, is there still interest in bringing this EasyConfig into 2024a?
If so, we'd certainly need to update things for EasyBuild 5.x, since some options have changed.

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@Thyre, not on our site. I would just drop it and concentrate on 2025a.

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Thyre commented Oct 9, 2025

I think we can go ahead and close this then 😄

@Flamefire
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I got #25203 just created.

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5 participants