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fix post install command for pyiron-gpl to avoid stripping out too many lines from pyiron_gpl/__init__.py#23220

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boegel merged 2 commits intoeasybuilders:developfrom
pavelToman:20250626183907_new_pr_pyiron-gpl00520250512
Jun 30, 2025
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fix post install command for pyiron-gpl to avoid stripping out too many lines from pyiron_gpl/__init__.py#23220
boegel merged 2 commits intoeasybuilders:developfrom
pavelToman:20250626183907_new_pr_pyiron-gpl00520250512

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@pavelToman pavelToman commented Jun 26, 2025 •
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(created using eb --new-pr)
resolves vscentrum/vsc-software-stack#573

@pavelToman pavelToman changed the title update postinstallcmds - fix Gaussian job import Update pyiron-gpl-0.0.5-20250512-foss-2023b-mbocus postinstallcmds - fix Gaussian job import Jun 26, 2025
@pavelToman pavelToman added bug fix and removed change labels Jun 26, 2025
@pavelToman pavelToman mentioned this pull request Jun 26, 2025
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pavelToman commented Jun 26, 2025

@boegelbot please test @ jsc-zen3

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pavelToman commented Jun 26, 2025

Test report by @pavelToman
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
node4009.donphan.os - Linux RHEL 9.4, x86_64, Intel(R) Xeon(R) Gold 6240 CPU @ 2.60GHz, 1 x NVIDIA NVIDIA A2, 570.133.20, Python 3.9.18
See https://gist.github.com/pavelToman/cdf4b25d9f66a103867608ce8405732e for a full test report.

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pavelToman commented Jun 26, 2025

Test report by @pavelToman
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
node4234.shinx.os - Linux RHEL 9.4, x86_64, AMD EPYC 9654 96-Core Processor, Python 3.9.18
See https://gist.github.com/pavelToman/2b729d742fd6d471558bcf86b6fb705f for a full test report.

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boegelbot commented Jun 26, 2025

@pavelToman: 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=23220 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_23220 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

  • exit code: 0
  • output:
Submitted batch job 7025

Test results coming soon (I hope)...

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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 Jun 26, 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/c5a584e20a39245f9d1bf93431dbb9f8 for a full test report.

boegel
boegel requested changes Jun 27, 2025
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Comment thread easybuild/easyconfigs/p/pyiron-gpl/pyiron-gpl-0.0.5-20250512-foss-2023b-mbocus.eb Outdated
@boegel boegel changed the title Update pyiron-gpl-0.0.5-20250512-foss-2023b-mbocus postinstallcmds - fix Gaussian job import fix post install command for pyiron-gpl to avoid stripping out too many lines from pyiron_gpl/__init__.py Jun 27, 2025
@boegel boegel added this to the next release (5.1.1?) milestone Jun 27, 2025
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pavelToman commented Jun 27, 2025

Test report by @pavelToman
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
node4235.shinx.os - Linux RHEL 9.4, x86_64, AMD EPYC 9654 96-Core Processor, Python 3.9.18
See https://gist.github.com/pavelToman/2d3441e3b3edb6649586de4533a91062 for a full test report.

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pavelToman commented Jun 27, 2025

@boegelbot please test @ jsc-zen3

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boegelbot commented Jun 27, 2025

@pavelToman: 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=23220 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_23220 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

  • exit code: 0
  • output:
Submitted batch job 7034

Test results coming soon (I hope)...

Details

- notification for comment with ID 3012986838 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 Jun 27, 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/db175f466f456a43648d4ae58d4adeb7 for a full test report.

@pavelToman
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pavelToman commented Jun 27, 2025

Test report by @pavelToman
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
node4009.donphan.os - Linux RHEL 9.4, x86_64, Intel(R) Xeon(R) Gold 6240 CPU @ 2.60GHz, 1 x NVIDIA NVIDIA A2, 570.133.20, Python 3.9.18
See https://gist.github.com/pavelToman/38f1a2955b702db5e7f542a1e0eb2a81 for a full test report.

@boegel boegel removed the change label Jun 30, 2025
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boegel commented Jun 30, 2025

Going in, thanks @pavelToman!

@boegel boegel merged commit 8037049 into easybuilders:develop Jun 30, 2025
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pyiron + nglview

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