add GPAW-setups v24.1.0 + use it in existing GPAW easyconfigs

[schiotz]

(created using eb --new-pr)

This PR contains a new release of PAW setups for the GPAW DFT code. The Chromium setup in the previous release is not very good as it may cause a so-called ghost state. A new much improved Chromium setup is included in this version, with 14 valence electrons.

I have updated the GPAW .eb files in the 2023a toolchain to make them pull in this new version. This will not change existing calculations and scripts, as the new Cr setup has to be enabled explicitly by the user.

[Micket]

well it sounds like you have thought this change through

[Micket]

Test report by @Micket
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
alvis-icelake-build - Linux Rocky Linux 8.9, x86_64, Intel(R) Xeon(R) Silver 4316 CPU @ 2.30GHz, Python 3.6.8
See https://gist.github.com/Micket/6d0d3d2071727adcaf3a02da4f117faa for a full test report.

[Micket]

@boegelbot please test @ generoso

[boegelbot]

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

PR test command 'EB_PR=20117 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs /opt/software/slurm/bin/sbatch --job-name test_PR_20117 --ntasks=4 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

• exit code: 0
• output:

Submitted batch job 13147

Test results coming soon (I hope)...

- notification for comment with ID 2008339288 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
SUCCESS
Build succeeded for 4 out of 4 (4 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/172316d1a268c9426f5f712f0d5caab7 for a full test report.

[Micket]

@boegelbot please test @ jsc-zen3

[boegelbot]

@Micket: 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=20117 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_20117 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

• exit code: 0
• output:

Submitted batch job 3809

Test results coming soon (I hope)...

- notification for comment with ID 2008357107 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
SUCCESS
Build succeeded for 4 out of 4 (4 easyconfigs in total)
jsczen3c1.int.jsc-zen3.fz-juelich.de - Linux Rocky Linux 9.3, x86_64, AMD EPYC-Milan Processor (zen3), Python 3.9.18
See https://gist.github.com/boegelbot/340ac6b551156726ffa0947724d911c4 for a full test report.

[Micket]

Test report by @Micket
SUCCESS
Build succeeded for 3 out of 3 (1 easyconfigs in total)
vera-skylake-build - Linux Rocky Linux 8.9, x86_64, Intel Xeon Processor (Skylake, IBRS, no TSX), Python 3.6.8
See https://gist.github.com/Micket/454e0024ee00728232a9327cbd65d318 for a full test report.