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{chem}[foss/2023a] ESPResSo v4.2.2 #20595

Merged
merged 5 commits into from
May 28, 2024
Merged

{chem}[foss/2023a] ESPResSo v4.2.2 #20595

merged 5 commits into from
May 28, 2024

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Neves-P
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@Neves-P Neves-P commented May 22, 2024

(created using eb --new-pr)

@Neves-P Neves-P mentioned this pull request May 22, 2024
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@Neves-P Neves-P marked this pull request as draft May 22, 2024 17:12
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boegel commented May 22, 2024

@boegelbot please test @ generoso

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

PR test command 'EB_PR=20595 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs /opt/software/slurm/bin/sbatch --job-name test_PR_20595 --ntasks=4 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

  • exit code: 0
  • output:
Submitted batch job 13520

Test results coming soon (I hope)...

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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/73778c08087ebbe96f3cd2ea4ccc70db for a full test report.

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Neves-P commented May 23, 2024

Important note: I disabled the patch that was made for version 4.2.1 because it doesn't apply out of the box. I need to see if it is still needed (causes failing tests) and if so, port it over. After that, I'll switch the PR from draft to ready for review.

@boegel boegel added the update label May 23, 2024
@boegel boegel added this to the 4.x milestone May 23, 2024
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Neves-P commented May 23, 2024 •
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The patch addresses a module in setuptools being deprecated from version v67.3.0 and the release notes state:

Add support for setuptools version 67.3.0 and above (espressomd/espresso#4709).

From: https://github.com/espressomd/espresso/releases/tag/4.2.2

I think then it is safe to say the patch is no longer necessary.

@Neves-P Neves-P marked this pull request as ready for review May 23, 2024 08:53
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Neves-P commented May 23, 2024

Test report by @Neves-P
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
WKS058930 - Linux Ubuntu 22.04, x86_64, 12th Gen Intel(R) Core(TM) i7-1260P, Python 3.10.12
See https://gist.github.com/Neves-P/b32d2b2e8122c1484b71ed070d313b6d for a full test report.

@Neves-P Neves-P requested a review from bedroge May 27, 2024 09:55
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bedroge commented May 27, 2024

@boegelbot please test @ jsc-zen3

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@bedroge: 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=20595 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_20595 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

  • exit code: 0
  • output:
Submitted batch job 4215

Test results coming soon (I hope)...

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Test report by @boegelbot
FAILED
Build succeeded for 1 out of 2 (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/bbefbe3bef1f9af3f4772b2e9c27c0be for a full test report.

Neves-P added 2 commits May 27, 2024 13:13
@Neves-P
Don't use template for source_url
02a8db2 
Can't use `GITHUB_LOWER_RELEASE` because the release is tagged 4.2.2 and not v4.2.2
@Neves-P
Also remove github_account
9ae530f
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bedroge commented May 27, 2024

@boegelbot please test @ jsc-zen3

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@bedroge: 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=20595 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_20595 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

  • exit code: 0
  • output:
Submitted batch job 4221

Test results coming soon (I hope)...

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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/1df92420e2024e3c402885e26d9d4971 for a full test report.

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bedroge commented May 27, 2024

@boegelbot please test @ generoso

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

PR test command 'EB_PR=20595 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs /opt/software/slurm/bin/sbatch --job-name test_PR_20595 --ntasks=4 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

  • exit code: 0
  • output:
Submitted batch job 13568

Test results coming soon (I hope)...

- notification for comment with ID 2133302012 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).

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Neves-P commented May 27, 2024

Test report by @Neves-P
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
WKS058930 - Linux Ubuntu 22.04, x86_64, 12th Gen Intel(R) Core(TM) i7-1260P, Python 3.10.12
See https://gist.github.com/Neves-P/4b4de9168e6a6b5a478419e8f1d1b12b for a full test report.

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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/4bda7db3060698d113708b7a2c5777d0 for a full test report.

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bedroge commented May 27, 2024

Test report by @bedroge
SUCCESS
Build succeeded for 4 out of 4 (1 easyconfigs in total)
interactive2 - Linux Rocky Linux 8.9, x86_64, AMD EPYC-Milan Processor (zen2), Python 3.6.8
See https://gist.github.com/bedroge/b44421c75955a6943a0f13e7df12d53d for a full test report.

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Neves-P commented May 27, 2024

Test report by @Neves-P
FAILED
Build succeeded for 3 out of 4 (1 easyconfigs in total)
node27 - Linux Rocky Linux 8.9, x86_64, AMD EPYC 7763 64-Core Processor (zen3), Python 3.6.8
See https://gist.github.com/Neves-P/a5feb7702fe3a9b17d1a6cd51bdc3ed7 for a full test report.

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bedroge commented May 27, 2024

Test report by @bedroge
SUCCESS
Build succeeded for 3 out of 3 (1 easyconfigs in total)
bob-Latitude-5300 - Linux Ubuntu 22.04, x86_64, Intel(R) Core(TM) i7-8665U CPU @ 1.90GHz, Python 3.10.12
See https://gist.github.com/bedroge/cdb4525d5e8ee8740e80c0382b62797c for a full test report.

@Neves-P Neves-P marked this pull request as draft May 28, 2024 05:37
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Neves-P commented May 28, 2024

Need to check FFTW dependency before merging

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Neves-P commented May 28, 2024

Test report by @Neves-P
SUCCESS
Build succeeded for 2 out of 2 (1 easyconfigs in total)
node8 - Linux Rocky Linux 8.9, x86_64, AMD EPYC 7763 64-Core Processor (zen3), Python 3.6.8
See https://gist.github.com/Neves-P/e8551919b0225068d3457fa2ce0f822f for a full test report.

@Neves-P Neves-P marked this pull request as ready for review May 28, 2024 11:58
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Neves-P commented May 28, 2024

Looks like the failing test was a fluke, worked fine this time @bedroge 👍

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bedroge approved these changes May 28, 2024
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Looks good to me.

@bedroge bedroge modified the milestones: 4.x, release after 4.9.1 May 28, 2024
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bedroge commented May 28, 2024

Going in, thanks @Neves-P!

@bedroge bedroge merged commit 3520476 into easybuilders:develop May 28, 2024
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