Replace run_cmd with run_shell_cmd in custom easyblock for QuantumESPRESSO

[Crivella]

Replaced run_cmd with run_shell_cmd for 5.0 release

This is a replacement for PRs

• Replace run_cmd with run_shell_cmd in custom easyblock for QuantumESPRESSO_CMake (quantumespressocmake.py) #3301
• Replace run_cmd with run_shell_cmd in custom easyblock for QuantumESPRESSO (quantumespresso.py) #3269

[boegel]

@boegelbot please test @ jsc-zen3
EB_ARGS="QuantumESPRESSO-6.8-foss-2021b.eb QuantumESPRESSO-7.3.1-foss-2023a.eb QuantumESPRESSO-7.2-intel-2022b.eb"
EB_BRANCH=5.0.x

[boegelbot]

@boegel: Request for testing this PR well received on jsczen3l1.int.jsc-zen3.fz-juelich.de

PR test command 'if [[ "5.0.x" != 'develop' ]]; then EB_BRANCH="5.0.x" ./easybuild_develop.sh 2> /dev/null 1>&2; EB_PREFIX=/home/boegelbot/easybuild/"5.0.x" source init_env_easybuild_develop.sh; fi; EB_PR=3411 EB_ARGS="QuantumESPRESSO-6.8-foss-2021b.eb QuantumESPRESSO-7.3.1-foss-2023a.eb QuantumESPRESSO-7.2-intel-2022b.eb" EB_REPO=easybuild-easyblocks EB_BRANCH="5.0.x" /opt/software/slurm/bin/sbatch --job-name test_PR_3411 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

• exit code: 0
• output:

Submitted batch job 4686

Test results coming soon (I hope)...

- notification for comment with ID 2289685124 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).

[boegel]

Requested test builds never started because QuantumESPRESSO-7.3.1-foss-2023a.eb is not available yet in 5.0.x branch since it hasn't been synced with develop recently, fixing that in #21191

[boegel]

@boegelbot please test @ jsc-zen3
EB_ARGS="QuantumESPRESSO-6.8-foss-2021b.eb QuantumESPRESSO-7.3.1-foss-2023a.eb QuantumESPRESSO-7.2-intel-2022b.eb"
EB_BRANCH=5.0.x

[boegelbot]

@boegel: Request for testing this PR well received on jsczen3l1.int.jsc-zen3.fz-juelich.de

PR test command 'if [[ "5.0.x" != 'develop' ]]; then EB_BRANCH="5.0.x" ./easybuild_develop.sh 2> /dev/null 1>&2; EB_PREFIX=/home/boegelbot/easybuild/"5.0.x" source init_env_easybuild_develop.sh; fi; EB_PR=3411 EB_ARGS="QuantumESPRESSO-6.8-foss-2021b.eb QuantumESPRESSO-7.3.1-foss-2023a.eb QuantumESPRESSO-7.2-intel-2022b.eb" EB_REPO=easybuild-easyblocks EB_BRANCH="5.0.x" /opt/software/slurm/bin/sbatch --job-name test_PR_3411 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

• exit code: 0
• output:

Submitted batch job 4691

Test results coming soon (I hope)...

- notification for comment with ID 2292341058 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).

[boegelbot]

Test report by @boegelbot

Overview of tested easyconfigs (in order)

• SUCCESS QuantumESPRESSO-6.8-foss-2021b.eb
• SUCCESS QuantumESPRESSO-7.3.1-foss-2023a.eb
• SUCCESS QuantumESPRESSO-7.2-intel-2022b.eb

Build succeeded for 3 out of 3 (3 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/48f8d56cc463ab6b520f44d69a0aeaef for a full test report.

[boegel]

lgtm