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{bio}[foss/2023a] OpenMM-Torch v20240816, OpenMMTools v0.23.1#21251

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lexming merged 4 commits intoeasybuilders:developfrom
WilleBell:20240823120715_new_pr_OpenMM-Torch20240816
Sep 26, 2024
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{bio}[foss/2023a] OpenMM-Torch v20240816, OpenMMTools v0.23.1#21251
lexming merged 4 commits intoeasybuilders:developfrom
WilleBell:20240823120715_new_pr_OpenMM-Torch20240816

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@WilleBell WilleBell commented Aug 23, 2024

(created using eb --new-pr)

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WilleBell commented Sep 9, 2024

Test report by @WilleBell
SUCCESS
Build succeeded for 2 out of 2 (2 easyconfigs in total)
node614.hydra.os - Linux Rocky Linux 8.10, x86_64, AMD EPYC 9384X 32-Core Processor, Python 3.6.8
See https://gist.github.com/WilleBell/04646aa1f5549c8a455feb72b93d4366 for a full test report.

lexming
lexming requested changes Sep 20, 2024
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Comment thread easybuild/easyconfigs/o/OpenMMTools/OpenMMTools-0.23.1-foss-2023a.eb Outdated
Comment thread easybuild/easyconfigs/o/OpenMMTools/OpenMMTools-0.23.1-foss-2023a.eb Outdated
Comment thread easybuild/easyconfigs/o/OpenMMTools/OpenMMTools-0.23.1-foss-2023a.eb Outdated
Comment thread easybuild/easyconfigs/o/OpenMM-Torch/OpenMM-Torch-20240816-foss-2023a.eb Outdated
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WilleBell commented Sep 20, 2024

Test report by @WilleBell
SUCCESS
Build succeeded for 2 out of 2 (2 easyconfigs in total)
node601.hydra.os - Linux Rocky Linux 8.10, x86_64, AMD EPYC 9384X 32-Core Processor, Python 3.6.8
See https://gist.github.com/WilleBell/46ba90fcbe7c7a7644bd8d6419a0f404 for a full test report.

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lexming commented Sep 25, 2024

@boegelbot: please test @ generoso

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boegelbot commented Sep 25, 2024

@lexming: Request for testing this PR well received on login1

PR test command 'EB_PR=21251 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs /opt/software/slurm/bin/sbatch --job-name test_PR_21251 --ntasks=4 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

  • exit code: 0
  • output:
Submitted batch job 14340

Test results coming soon (I hope)...

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- notification for comment with ID 2374229959 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 Sep 25, 2024

Test report by @boegelbot
SUCCESS
Build succeeded for 2 out of 2 (2 easyconfigs in total)
cns1 - Linux Rocky Linux 8.9, x86_64, Intel(R) Xeon(R) CPU E5-2667 v3 @ 3.20GHz (haswell), Python 3.6.8
See https://gist.github.com/boegelbot/a041a49e843ba3bf76f5c6c1c2f58af3 for a full test report.

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lexming commented Sep 26, 2024

@boegelbot please test @ jsc-zen3

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boegelbot commented Sep 26, 2024

@lexming: 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=21251 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_21251 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

  • exit code: 0
  • output:
Submitted batch job 4945

Test results coming soon (I hope)...

Details

- notification for comment with ID 2376636731 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 Sep 26, 2024

Test report by @boegelbot
SUCCESS
Build succeeded for 2 out of 2 (2 easyconfigs in total)
jsczen3c1.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/d01245fed49114426810d439a9d27f31 for a full test report.

lexming
lexming approved these changes Sep 26, 2024
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LGTM

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lexming commented Sep 26, 2024

Merging, thanks @WilleBell !

@lexming lexming merged commit bb98871 into easybuilders:develop Sep 26, 2024
@lexming lexming added the update label Sep 26, 2024
@lexming lexming added this to the release after 4.9.4 milestone Sep 26, 2024
@lexming lexming added the new label Sep 26, 2024
@boegel boegel modified the milestones: release after 4.9.4, 5.0.0 Mar 18, 2025
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