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add Simple-DFTD3 as dependency for CREST to avoid it being downloaded during the build#23831

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boegel merged 1 commit intoeasybuilders:developfrom
sassy-crick:20250909141024_new_pr_CREST302
Sep 10, 2025
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add Simple-DFTD3 as dependency for CREST to avoid it being downloaded during the build#23831
boegel merged 1 commit intoeasybuilders:developfrom
sassy-crick:20250909141024_new_pr_CREST302

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@sassy-crick sassy-crick commented Sep 9, 2025 •
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(created using eb --new-pr)

It appears that without adding Simple-DFTD3 as a dependency, it tries to pull it in via GitHub and that fails, as building Simple-DFTD3 is requires some mctc-lib *.mod files which are not there.
Falling back to the already existing Simple-DFTD3 from EasyBuild fixes that problem.
It is not clear to me what has changed where as previous builds worked ok.

@github-actions github-actions Bot added the change label Sep 9, 2025
@Thyre Thyre added the 2023b label Sep 9, 2025
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sassy-crick commented Sep 9, 2025

@boegelbot please test @ jsc-zen3

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boegelbot commented Sep 9, 2025

@sassy-crick: 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=23831 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_23831 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

  • exit code: 0
  • output:
Submitted batch job 7895

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 Sep 9, 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 9.6, x86_64, AMD EPYC-Milan Processor (zen3), Python 3.9.21
See https://gist.github.com/boegelbot/f01229f208c4fc329200fd8a79d8b377 for a full test report.

@boegel boegel changed the title Simple-DFTD3 added as dependency add Simple-DFTD3 as dependency for CREST Sep 10, 2025
@boegel boegel changed the title add Simple-DFTD3 as dependency for CREST add Simple-DFTD3 as dependency for CREST to avoid it being downloaded during the build Sep 10, 2025
@boegel boegel removed the change label Sep 10, 2025
@boegel boegel added this to the next release (5.1.2) milestone Sep 10, 2025
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boegel commented Sep 10, 2025

Test report by @boegel
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
node3522.doduo.os - Linux RHEL 9.4, x86_64, AMD EPYC 7552 48-Core Processor (zen2), Python 3.9.18
See https://gist.github.com/boegel/899d6113f61498085b87deef52261f17 for a full test report.

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boegel approved these changes Sep 10, 2025
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lgtm

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boegel commented Sep 10, 2025

Going in, thanks @sassy-crick!

@boegel boegel merged commit 07a6b85 into easybuilders:develop Sep 10, 2025
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pavelToman commented Sep 10, 2025

Test report by @pavelToman
SUCCESS
Build succeeded for 9 out of 9 (1 easyconfigs in total)
node4231.shinx.os - Linux RHEL 9.4, x86_64, AMD EPYC 9654 96-Core Processor, Python 3.9.18
See https://gist.github.com/pavelToman/bb87e77a5d7f082017fd58a1cf07fe15 for a full test report.

@sassy-crick sassy-crick deleted the 20250909141024_new_pr_CREST302 branch December 18, 2025 20:22
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