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Update QuantumESPRESSO easyblock to use cfg.parallel property#3688

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ocaisa merged 1 commit intoeasybuilders:developfrom
Flamefire:20250407092101_new_pr_quantumespresso
Apr 7, 2025
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Update QuantumESPRESSO easyblock to use cfg.parallel property#3688
ocaisa merged 1 commit intoeasybuilders:developfrom
Flamefire:20250407092101_new_pr_quantumespresso

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@Flamefire Flamefire commented Apr 7, 2025 •
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(created using eb --new-pr)

This seemingly was missed before

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ocaisa commented Apr 7, 2025

@boegelbot please test @ jsc-zen3
EB_ARGS="QuantumESPRESSO-7.3.1-foss-2024a.eb"

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boegelbot commented Apr 7, 2025

@ocaisa: 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=3688 EB_ARGS="QuantumESPRESSO-7.3.1-foss-2024a.eb" EB_REPO=easybuild-easyblocks EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_3688 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

  • exit code: 0
  • output:
Submitted batch job 6124

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 Apr 7, 2025

Test report by @boegelbot

Overview of tested easyconfigs (in order)

  • SUCCESS QuantumESPRESSO-7.3.1-foss-2024a.eb

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/dd2548099e41b9cf1d12e5533143c9ff for a full test report.

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ocaisa commented Apr 7, 2025

LGTM, thanks @Flamefire

@ocaisa ocaisa merged commit 974ec6d into easybuilders:develop Apr 7, 2025
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@Flamefire Flamefire deleted the 20250407092101_new_pr_quantumespresso branch April 7, 2025 08:39
@boegel boegel added the bug fix label Apr 9, 2025
@boegel boegel added this to the release after 5.0.0 milestone Apr 9, 2025
@boegel boegel changed the title Update quantumespresso to use cfg.parallel property Update QuantumESPRESSO easyblock to use cfg.parallel property Apr 9, 2025
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