{chem}[foss/2020a,foss/2020b,foss/2021a,foss/2021b] TAMkin v1.2.6 w/ Python 3.8.2 #19722

Flamefire · 2024-01-25T12:21:48Z

(created using eb --new-pr)

….2.6-foss-2020b.eb, TAMkin-1.2.6-foss-2021a.eb, TAMkin-1.2.6-foss-2021b.eb

ocaisa · 2024-01-25T14:05:36Z

@boegelbot please test @ generoso

boegelbot · 2024-01-25T14:10:10Z

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

PR test command 'EB_PR=19722 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs /opt/software/slurm/bin/sbatch --job-name test_PR_19722 --ntasks=4 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

exit code: 0
output:

Submitted batch job 12729

Test results coming soon (I hope)...

- notification for comment with ID 1910284294 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 · 2024-01-25T14:15:05Z

Test report by @boegelbot
FAILED
Build succeeded for 0 out of 4 (4 easyconfigs in total)
cns2 - 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/8a56747511914837f3ad24ae68deaf21 for a full test report.

verdurin · 2024-01-30T09:50:38Z

Test report by @verdurin
SUCCESS
Build succeeded for 7 out of 7 (4 easyconfigs in total)
easybuild-c7.novalocal - Linux CentOS Linux 7.9.2009, x86_64, Intel Xeon Processor (Skylake, IBRS), Python 3.6.8
See https://gist.github.com/verdurin/c1d90fc0b4593f26c77ed4bad19cc208 for a full test report.

verdurin · 2024-01-30T15:41:34Z

@boegelbot please test @ jsc-zen3

boegelbot · 2024-01-30T15:50:08Z

@verdurin: 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=19722 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_19722 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

exit code: 0
output:

Submitted batch job 3520

Test results coming soon (I hope)...

- notification for comment with ID 1917272737 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 · 2024-01-30T20:02:06Z

Test report by @boegelbot
FAILED
Build succeeded for 100 out of 127 (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/a6a1690c5f4a70a38729b6fb7b43e5a8 for a full test report.

Flamefire · 2024-02-21T09:42:22Z

It fails to build CMake and Python?

Flamefire · 2024-02-21T16:04:21Z

Test report by @Flamefire
SUCCESS
Build succeeded for 6 out of 6 (4 easyconfigs in total)
n1170 - Linux RHEL 8.7 (Ootpa), x86_64, Intel(R) Xeon(R) Platinum 8470 (icelake), Python 3.8.13
See https://gist.github.com/Flamefire/a6d01fc248455601ac4ec1493c596b9b for a full test report.

ocaisa · 2024-02-23T12:14:05Z

@boegelbot please test @ generoso

boegelbot · 2024-02-23T12:15:08Z

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

PR test command 'EB_PR=19722 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs /opt/software/slurm/bin/sbatch --job-name test_PR_19722 --ntasks=4 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

exit code: 0
output:

Submitted batch job 12952

Test results coming soon (I hope)...

- notification for comment with ID 1961222002 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 · 2024-02-23T12:19:35Z

Test report by @boegelbot
FAILED
Build succeeded for 0 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/9c51d114d0150f96ea245b30f517d763 for a full test report.

ocaisa · 2024-02-23T12:19:38Z

@boegelbot please test @ jsc-zen3
EB_ARGS="TAMkin-1.2.6-foss-2021a.eb TAMkin-1.2.6-foss-2021b.eb"

boegelbot · 2024-02-23T12:20:08Z

@ocaisa: 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=19722 EB_ARGS="TAMkin-1.2.6-foss-2021a.eb TAMkin-1.2.6-foss-2021b.eb" EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_19722 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

exit code: 0
output:

Submitted batch job 3666

Test results coming soon (I hope)...

- notification for comment with ID 1961229584 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 · 2024-02-23T12:22:15Z

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/5e9745309414d922a7b0e232ef309c67 for a full test report.

Flamefire · 2024-02-23T15:01:13Z

Test report by @boegelbot FAILED Build succeeded for 0 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/9c51d114d0150f96ea245b30f517d763 for a full test report.

This is molmod/tamkin#43

Flamefire · 2024-02-23T16:05:32Z

Test report by @Flamefire
SUCCESS
Build succeeded for 8 out of 8 (4 easyconfigs in total)
i8014 - Linux Rocky Linux 8.7, x86_64, AMD EPYC 7352 24-Core Processor (zen2), 8 x NVIDIA NVIDIA A100-SXM4-40GB, 545.23.08, Python 3.6.8
See https://gist.github.com/Flamefire/e908d8a766112f4d6e243379bdd45674 for a full test report.

Flamefire · 2024-02-28T11:21:53Z

Test report by @Flamefire
SUCCESS
Build succeeded for 4 out of 4 (4 easyconfigs in total)
n1358 - Linux RHEL 8.7 (Ootpa), x86_64, Intel(R) Xeon(R) Platinum 8470 (icelake), Python 3.8.13
See https://gist.github.com/Flamefire/849f4970003291e2e9c3aeebc6d5a46c for a full test report.

Flamefire · 2024-03-11T15:14:59Z

@ocaisa This should now pass can can be merged.

ocaisa · 2024-03-11T22:29:01Z

@boegelbot please test @ jsc-zen3
EB_ARGS="TAMkin-1.2.6-foss-2021a.eb TAMkin-1.2.6-foss-2021b.eb"

boegelbot · 2024-03-11T22:30:08Z

@ocaisa: 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=19722 EB_ARGS="TAMkin-1.2.6-foss-2021a.eb TAMkin-1.2.6-foss-2021b.eb" EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_19722 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

exit code: 0
output:

Submitted batch job 3753

Test results coming soon (I hope)...

- notification for comment with ID 1989556027 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 · 2024-03-11T22:32:21Z

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/1d4bb7129eb2db701f526488df1910dc for a full test report.

ocaisa · 2024-03-20T08:46:03Z

Going in, thanks @Flamefire

adding easyconfigs: TAMkin-1.2.6-foss-2020a-Python-3.8.2.eb, TAMkin-1…

955d25e

….2.6-foss-2020b.eb, TAMkin-1.2.6-foss-2021a.eb, TAMkin-1.2.6-foss-2021b.eb

Flamefire mentioned this pull request Jan 25, 2024

{tools}[foss/2023a] pyiron v0.5.1 w/ Python 3.11.3 #19398

Merged

Use matplotlib 3.3.3 for 2020b

abbfae5

Flamefire mentioned this pull request Feb 23, 2024

{chem,math}[foss/2022a,foss/2022b] molmod v1.4.8, TAMkin v1.2.6 #19723

Merged

Fix test_vsa_no_mass

c41ac42

ocaisa approved these changes Mar 20, 2024

View reviewed changes

ocaisa merged commit dcae9d0 into easybuilders:develop Mar 20, 2024
9 checks passed

Flamefire deleted the 20240125132141_new_pr_TAMkin126 branch March 20, 2024 08:57

boegel added this to the 4.9.1 milestone Apr 4, 2024

boegel added the update label Apr 4, 2024

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{chem}[foss/2020a,foss/2020b,foss/2021a,foss/2021b] TAMkin v1.2.6 w/ Python 3.8.2 #19722

{chem}[foss/2020a,foss/2020b,foss/2021a,foss/2021b] TAMkin v1.2.6 w/ Python 3.8.2 #19722

Flamefire commented Jan 25, 2024

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ocaisa commented Mar 20, 2024

{chem}[foss/2020a,foss/2020b,foss/2021a,foss/2021b] TAMkin v1.2.6 w/ Python 3.8.2 #19722

{chem}[foss/2020a,foss/2020b,foss/2021a,foss/2021b] TAMkin v1.2.6 w/ Python 3.8.2 #19722

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