Adapt cp2k regtest argument

[stevenvdb]

This builds upon #3433. For CP2K >= 2025.1, the do_regtest.py script expects a full path instead of just self.typearch as first argument (see cp2k/cp2k#3640)

[pavelToman]

There are also some changes to this block: #3862

[pavelToman]

@boegelbot please test @ jsc-zen3 EB_ARGS="CP2K-2023.1-foss-2023a.eb"

[boegelbot]

@pavelToman: 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=3623 EB_ARGS="CP2K-2023.1-foss-2023a.eb" EB_REPO=easybuild-easyblocks EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_3623 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

• exit code: 0
• output:

Submitted batch job 7559

Test results coming soon (I hope)...

- notification for comment with ID 3179514987 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)

• FAIL (build issue) CP2K-2023.1-foss-2023a.eb (partial log available at https://gist.github.com/boegelbot/0facb8cbcf43557631f330b128f4df4c)

Build succeeded for 0 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/97dceb5c9ff7ff9353f7af50f50b91bf for a full test report.

[pavelToman]

@boegelbot please test @ jsc-zen3 EB_ARGS="CP2K-2023.1-foss-2023a.eb"

[boegelbot]

@pavelToman: 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=3623 EB_ARGS="CP2K-2023.1-foss-2023a.eb" EB_REPO=easybuild-easyblocks EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_3623 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

• exit code: 0
• output:

Submitted batch job 7578

Test results coming soon (I hope)...

- notification for comment with ID 3183519586 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)

• FAIL (build issue) CP2K-2023.1-foss-2023a.eb (partial log available at https://gist.github.com/boegelbot/5bf1f70e39152ff2e637b5b9e8ca1fc1)

Build succeeded for 0 out of 1 (1 easyconfigs in total)
jsczen3c4.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/4a24f93cfbeafa58d453ffee148a6ae2 for a full test report.

[pavelToman]

Test report by @boegelbot

Overview of tested easyconfigs (in order)

* **FAIL (build issue)** _CP2K-2023.1-foss-2023a.eb_ (partial log available at https://gist.github.com/boegelbot/5bf1f70e39152ff2e637b5b9e8ca1fc1)

Build succeeded for 0 out of 1 (1 easyconfigs in total) jsczen3c4.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/4a24f93cfbeafa58d453ffee148a6ae2 for a full test report.

The problem could be fixed as suggested here: #3433 (comment)

[pavelToman]

This PR is replaced by:

• Update CP2K easyblock for v2024 and v2025 #3892