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{lib}[foss/2023a] Phonopy-Spectroscopy v20240308#21024

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smoors merged 3 commits intoeasybuilders:developfrom
WilleBell:20240719165307_new_pr_Phonopy-Spectroscopy20240308
Oct 11, 2024
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{lib}[foss/2023a] Phonopy-Spectroscopy v20240308#21024
smoors merged 3 commits intoeasybuilders:developfrom
WilleBell:20240719165307_new_pr_Phonopy-Spectroscopy20240308

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(created using eb --new-pr)

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Test report by @WilleBell
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
node611.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/aced4fc3088c49495be5e6ce59ca62b3 for a full test report.

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bedroge commented Jul 19, 2024

phonopy-ir --help shows that it also depends on h5py:

ModuleNotFoundError: No module named 'h5py'

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phonopy-ir --help shows that it also depends on h5py:

ModuleNotFoundError: No module named 'h5py'

In their readme I understood phonopy (and h5py) is only needed for the Phonopy interface, so I went for the minimal requirements, but I have to say I am not sure if it is the right choice. I can add phonopy as a dependency to avoid complications if needed.

@smoors smoors added the new label Oct 11, 2024
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smoors commented Oct 11, 2024

@boegelbot: please test @ generoso

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

PR test command 'EB_PR=21024 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs /opt/software/slurm/bin/sbatch --job-name test_PR_21024 --ntasks=4 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

  • exit code: 0
  • output:
Submitted batch job 14452

Test results coming soon (I hope)...

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- notification for comment with ID 2407498182 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
SUCCESS
Build succeeded for 1 out of 1 (1 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/6b0769849b6221b3b8164688c2e170f6 for a full test report.

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smoors commented Oct 11, 2024

@boegelbot please test @ jsc-zen3

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@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=21024 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_21024 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

  • exit code: 0
  • output:
Submitted batch job 5060

Test results coming soon (I hope)...

Details

- notification for comment with ID 2407511570 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
SUCCESS
Build succeeded for 1 out of 1 (1 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/0ab300f0755d3dbbe005285a1a55b7c9 for a full test report.

@smoors smoors added this to the release after 4.9.4 milestone Oct 11, 2024
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lgtm

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smoors commented Oct 11, 2024

Going in, thanks @WilleBell!

@smoors smoors merged commit 27b6ccd into easybuilders:develop Oct 11, 2024
@boegel boegel modified the milestones: release after 4.9.4, 5.0.0 Mar 18, 2025
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5 participants