{chem,math}[gomkl/2023a] FDMNES v2024-02-29, MUMPS v5.6.2 w/ metis seq

[PetrKralCZ]

(created using eb --new-pr)

[verdurin]

@PetrKralCZ the test error is:

AssertionError: Should not have multiple variants of dependencies.
Found 2 variants of 'MUMPS' dependency in easyconfigs using '2023a' toolchain generation
* version: 5.6.1; versionsuffix: -metis as dep for {'SLEPc-3.20.1-foss-2023a.eb', 'MODFLOW-6.4.4-foss-2023a.eb', 'snakemake-8.4.2-foss-2023a.eb', 'phyluce-1.7.3-foss-2023a.eb', 'Clp-1.17.9-foss-2023a.eb', 'PuLP-2.8.0-foss-2023a.eb', 'Cbc-2.10.11-foss-2023a.eb', 'deal.II-9.5.2-foss-2023a.eb', 'PETSc-3.20.3-foss-2023a.eb', 'Cgl-0.60.8-foss-2023a.eb'}
  * version: 5.6.2; versionsuffix: -metis-seq as dep for {'FDMNES-2024-02-29-gomkl-2023a.eb'}

Could you downgrade MUMPS to 5.6.1?

[verdurin]

Thanks.
Now it's complaining about METIS:

Found 2 variants of 'MUMPS' dependency in easyconfigs using '2023a' toolchain generation
* version: 5.6.1; versionsuffix: -metis as dep for {'phyluce-1.7.3-foss-2023a.eb', 'Clp-1.17.9-foss-2023a.eb', 'PETSc-3.20.3-foss-2023a.eb', 'Cgl-0.60.8-foss-2023a.eb', 'MODFLOW-6.4.4-foss-2023a.eb', 'PuLP-2.8.0-foss-2023a.eb', 'SLEPc-3.20.1-foss-2023a.eb', 'Cbc-2.10.11-foss-2023a.eb', 'deal.II-9.5.2-foss-2023a.eb', 'snakemake-8.4.2-foss-2023a.eb'}
  * version: 5.6.1; versionsuffix: -metis-seq as dep for {'FDMNES-2024-02-29-gomkl-2023a.eb'}

That's clearly something you've deliberately added, so we'll need to add an exception to the tests here.

[boegel]

@boegelbot please test @ generoso

[boegelbot]

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

PR test command 'EB_PR=20321 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs /opt/software/slurm/bin/sbatch --job-name test_PR_20321 --ntasks=4 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

• exit code: 0
• output:

Submitted batch job 13310

Test results coming soon (I hope)...

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Message to humans: this is just bookkeeping information for me,
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[boegelbot]

Test report by @boegelbot
SUCCESS
Build succeeded for 2 out of 2 (2 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/92ba1084dcf95c419c914fcedead61b7 for a full test report.

[boegel]

@boegelbot please test @ jsc-zen3

[boegelbot]

@boegel: 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=20321 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_20321 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

• exit code: 0
• output:

Submitted batch job 3983

Test results coming soon (I hope)...

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Message to humans: this is just bookkeeping information for me,
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[boegel]

Test report by @boegel
SUCCESS
Build succeeded for 3 out of 3 (2 easyconfigs in total)
node3113.skitty.os - Linux RHEL 8.8, x86_64, Intel(R) Xeon(R) Gold 6140 CPU @ 2.30GHz, Python 3.6.8
See https://gist.github.com/boegel/2c0358d9c4fefc8347379413ae1b4ece for a full test report.

[boegelbot]

Test report by @boegelbot
SUCCESS
Build succeeded for 2 out of 2 (2 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/6b0638cb3838ebd8b1f5995404730e9c for a full test report.

[boegel]

lgtm

[boegel]

Going in, thanks @PetrKralCZ!