{chem}[gfbf/2023a] xtb-IFF v1.1

[WilleBell]

(created using eb --new-pr)

[WilleBell]

Test report by @WilleBell
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
node603.hydra.os - Linux Rocky Linux 8.9, x86_64, AMD EPYC 9384X 32-Core Processor, Python 3.6.8
See https://gist.github.com/WilleBell/e25de9f8e6c39d95e4ad8afcf4dbaf31 for a full test report.

[smoors]

@boegelbot: please test @ generoso

[boegelbot]

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

PR test command 'EB_PR=20783 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs /opt/software/slurm/bin/sbatch --job-name test_PR_20783 --ntasks=4 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

• exit code: 0
• output:

Submitted batch job 13713

Test results coming soon (I hope)...

- notification for comment with ID 2160150282 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/5e4eb21344cfa1ce26c469c18a8e2f7c for a full test report.

[smoors]

@boegelbot please test @ jsc-zen3

[boegelbot]

@smoors: 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=20783 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_20783 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

• exit code: 0
• output:

Submitted batch job 4363

Test results coming soon (I hope)...

- notification for comment with ID 2160155995 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/4e60181024aaf291dac54282df5b1843 for a full test report.

[smoors]

lgtm

[smoors]

Going in, thanks @WilleBell!