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{chem}[gomkl/2023a] Tinker-HP v20230803#22224

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lexming merged 2 commits intoeasybuilders:developfrom
smoors:20250128165245_new_pr_Tinker-HP20230803
Apr 8, 2025
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{chem}[gomkl/2023a] Tinker-HP v20230803#22224
lexming merged 2 commits intoeasybuilders:developfrom
smoors:20250128165245_new_pr_Tinker-HP20230803

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@smoors smoors commented Jan 28, 2025 •
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(created using eb --new-pr)

setting to draft as the user needs plumed support.

@smoors smoors added the new label Jan 28, 2025
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smoors commented Jan 28, 2025

@boegelbot please test @ jsc-zen3

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boegelbot commented Jan 28, 2025

@smoors: 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=22224 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_22224 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

  • exit code: 0
  • output:
Submitted batch job 5619

Test results coming soon (I hope)...

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- notification for comment with ID 2619543444 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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boegelbot commented Jan 28, 2025

Test report by @boegelbot
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
jsczen3c1.int.jsc-zen3.fz-juelich.de - Linux Rocky Linux 9.5, x86_64, AMD EPYC-Milan Processor (zen3), Python 3.9.21
See https://gist.github.com/boegelbot/efa8c24e66746e36cda2e9b224700fd8 for a full test report.

@smoors smoors marked this pull request as draft February 12, 2025 17:36
lexming
lexming approved these changes Apr 8, 2025
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LGTM

@smoors smoors marked this pull request as ready for review April 8, 2025 13:48
@lexming lexming enabled auto-merge April 8, 2025 13:51
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lexming commented Apr 8, 2025

Merging, thanks @smoors !

@lexming lexming added this to the release after 5.0.0 milestone Apr 8, 2025
@lexming lexming merged commit 5f3af19 into easybuilders:develop Apr 8, 2025
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