Update QuantumESPRESSO easyblock - add pretestopts + GPU test cmd

[pavelToman]

For easybuilders/easybuild-easyconfigs#25125
resolves vscentrum/vsc-software-stack#571

[boegel]

@Crivella Can you take a look at this?

[boegel]

@boegelbot please test @ jsc-zen3
CORE_CNT=16
EB_ARGS="--installpath /tmp/$USER/pr4053 QuantumESPRESSO-7.2-foss-2023a.eb QuantumESPRESSO-7.3.1-intel-2023a.eb QuantumESPRESSO-7.4-foss-2024a.eb QuantumESPRESSO-7.5-lfoss-2025b.eb"

[boegelbot]

@boegel: 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=4053 EB_ARGS="--installpath /tmp/$USER/pr4053 QuantumESPRESSO-7.2-foss-2023a.eb QuantumESPRESSO-7.3.1-intel-2023a.eb QuantumESPRESSO-7.4-foss-2024a.eb QuantumESPRESSO-7.5-lfoss-2025b.eb" EB_CONTAINER= EB_REPO=easybuild-easyblocks EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_4053 --ntasks="16" ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

• exit code: 0
• output:

Submitted batch job 9507

Test results coming soon (I hope)...

Details

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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).

[boegelbot]

Test report by @boegelbot

Overview of tested easyconfigs (in order)

• SUCCESS QuantumESPRESSO-7.2-foss-2023a.eb

• SUCCESS QuantumESPRESSO-7.3.1-intel-2023a.eb

• SUCCESS QuantumESPRESSO-7.4-foss-2024a.eb

• SUCCESS QuantumESPRESSO-7.5-lfoss-2025b.eb

Build succeeded for 4 out of 4 (total: 39 hours 47 mins 57 secs) (4 easyconfigs in total)
jsczen3c1.int.jsc-zen3.fz-juelich.de - Linux Rocky Linux 9.7, x86_64, AMD EPYC-Milan Processor (zen3), Python 3.9.23
See https://gist.github.com/boegelbot/5faf70ebe527dceaf6209590d8a92f57 for a full test report.

[Crivella]

LGTM

[Crivella]

Going in, thanks @pavelToman!