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enable tblite support in easyconfig for DFTB+ 24.1#21947

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verdurin merged 1 commit intoeasybuilders:developfrom
smoors:20241201183552_new_pr_DFTB+241
Dec 17, 2024
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enable tblite support in easyconfig for DFTB+ 24.1#21947
verdurin merged 1 commit intoeasybuilders:developfrom
smoors:20241201183552_new_pr_DFTB+241

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@smoors smoors commented Dec 1, 2024

(created using eb --new-pr)

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smoors commented Dec 1, 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=21947 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_21947 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

  • exit code: 0
  • output:
Submitted batch job 5363

Test results coming soon (I hope)...

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- notification for comment with ID 2510119680 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 9.5, x86_64, AMD EPYC-Milan Processor (zen3), Python 3.9.19
See https://gist.github.com/boegelbot/9058f0e9230f1fe91e62fc43663bf935 for a full test report.

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verdurin commented Dec 2, 2024

@boegelbot please test @ generoso

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

PR test command 'EB_PR=21947 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs /opt/software/slurm/bin/sbatch --job-name test_PR_21947 --ntasks=4 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

  • exit code: 0
  • output:
Submitted batch job 14794

Test results coming soon (I hope)...

Details

- notification for comment with ID 2511740488 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/7ed846682182237ffea99d999d2f6ae9 for a full test report.

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verdurin commented Dec 2, 2024

Test report by @verdurin
SUCCESS
Build succeeded for 10 out of 10 (1 easyconfigs in total)
easybuild-el8.cloud.in.bmrc.ox.ac.uk - Linux Rocky Linux 8.10, x86_64, Intel Xeon Processor (Skylake, IBRS), Python 3.6.8
See https://gist.github.com/verdurin/2c4af0334bc0117369c4d0786c657665 for a full test report.

@verdurin verdurin added this to the release after 4.9.4 milestone Dec 17, 2024
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Looks fine.

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Going in, thanks @smoors!

@verdurin verdurin merged commit f411b0e into easybuilders:develop Dec 17, 2024
@boegel boegel changed the title add tblite for DFTB+ enable tblite support in easyconfig for DFTB+ 24.1 Mar 18, 2025
@boegel boegel modified the milestones: release after 4.9.4, 5.0.0 Mar 18, 2025
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4 participants