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

[WilleBell]

(created using eb --new-pr)

[WilleBell]

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.

[WilleBell]

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.

[lexming]

@boegelbot: please test @ generoso

[boegelbot]

@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)...

- 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).

[boegelbot]

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.

[lexming]

@boegelbot please test @ jsc-zen3

[boegelbot]

@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)...

- 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).

[boegelbot]

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]

LGTM

[lexming]

Merging, thanks @WilleBell !