{chem}[foss/2023a] Critic2 v1.2

[appolloford]

(created using eb --new-pr)

[appolloford]

Test report by @appolloford SUCCESS Build succeeded for 1 out of 1 (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/appolloford/18449362e763bae23d0ad5f9ede88930 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=20833 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs /opt/software/slurm/bin/sbatch --job-name test_PR_20833 --ntasks=4 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

• exit code: 0
• output:

  Submitted batch job 13757

Test results coming soon (I hope)...

*- notification for comment with ID 2174424842 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 1 out of 1 (1 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/4a2d85775f0a808019ce3bbf79a85644 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=20833 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_20833 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

• exit code: 0
• output:

  Submitted batch job 4402

Test results coming soon (I hope)...

*- notification for comment with ID 2174443207 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 1 out of 1 (1 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/b4bdf08007ac24399ca980771a93e63e for a full test report.

[Micket]

Going in, thanks @appolloford!