{chem}[intel/2023a] GPAW v24.1.0

[schiotz]

(created using eb --new-pr)

[schiotz]

This version of GPAW fixes a rather serious bug, where GPAW in some rare circumstances would give the wrong result. See https://wiki.fysik.dtu.dk/gpaw/releasenotes.html#version-24-1-0

This PR is depending on SciPy-bundle from PR #18875 - unfortunately SciPy-bundle is not yet available for any recent intel toolchain.

[schiotz]

Closing and reopening to run test suite after #18875 was merged.

[schiotz]

Test report by @schiotz
SUCCESS
Build succeeded for 5 out of 5 (4 easyconfigs in total)
svol.fysik.dtu.dk - Linux CentOS Linux 7.9.2009, x86_64, Intel(R) Xeon(R) Gold 6148 CPU @ 2.40GHz, Python 3.6.8
See https://gist.github.com/schiotz/80747b3ce3233fac42d7ead01e902702 for a full test report.

[schiotz]

Test report by @schiotz
SUCCESS
Build succeeded for 5 out of 5 (4 easyconfigs in total)
slid.fysik.dtu.dk - Linux CentOS Linux 7.9.2009, x86_64, Intel(R) Xeon(R) CPU E5-2650 v4 @ 2.20GHz, Python 3.6.8
See https://gist.github.com/schiotz/a0c25e1b6fac21eae5bcd01106b25d0b for a full test report.

[branfosj]

@boegelbot please test @ generoso

[boegelbot]

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

PR test command 'EB_PR=19527 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs /opt/software/slurm/bin/sbatch --job-name test_PR_19527 --ntasks=4 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

• exit code: 0
• output:

Submitted batch job 12758

Test results coming soon (I hope)...

- notification for comment with ID 1913075575 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 8.5, x86_64, Intel(R) Xeon(R) CPU E5-2667 v3 @ 3.20GHz (haswell), Python 3.6.8
See https://gist.github.com/boegelbot/8a863edec2e1730dc252384c10be2169 for a full test report.

[branfosj]

@boegelbot please test @ jsc-zen3

[boegelbot]

@branfosj: 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=19527 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_19527 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

• exit code: 0
• output:

Submitted batch job 3499

Test results coming soon (I hope)...

- notification for comment with ID 1913078815 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).

[branfosj]

Test report by @branfosj
SUCCESS
Build succeeded for 8 out of 8 (4 easyconfigs in total)
bear-pg0105u03a - Linux RHEL 8.6, x86_64, Intel(R) Xeon(R) Platinum 8360Y CPU @ 2.40GHz (icelake), Python 3.6.8
See https://gist.github.com/branfosj/7cc6e29b4859762b6cf6d20f0133a989 for a full test report.

[branfosj]

Test report by @branfosj
SUCCESS
Build succeeded for 14 out of 14 (4 easyconfigs in total)
bear-pg0207u28a.bear.cluster - Linux RHEL 8.6, x86_64, AMD EPYC 9554 64-Core Processor (zen4), Python 3.6.8
See https://gist.github.com/branfosj/28b3bd2e591b76a9282df041ecaabd83 for a full test report.

[branfosj]

Test report by @branfosj
SUCCESS
Build succeeded for 14 out of 14 (4 easyconfigs in total)
bear-pg0207u20a - Linux RHEL 8.6, x86_64, Intel(R) Xeon(R) Platinum 8480CL (sapphirerapids), Python 3.6.8
See https://gist.github.com/branfosj/aff2c010d5d6d15106f81993964e79fe for a full test report.

[boegelbot]

Test report by @boegelbot
SUCCESS
Build succeeded for 6 out of 6 (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/dd59c2a11bd908116453d699b22158e3 for a full test report.

[branfosj]

Going in, thanks @schiotz!