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Add GROMACS easyconfig template with software-commit#2

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boegel merged 10 commits intoEESSI:mainfrom
Neves-P:gromacs
Oct 11, 2024
Merged

Add GROMACS easyconfig template with software-commit#2
boegel merged 10 commits intoEESSI:mainfrom
Neves-P:gromacs

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@Neves-P
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@Neves-P Neves-P commented Sep 27, 2024

This follows the same approach as #1 and adds an easystack file for GROMACS with software-commit to a release that is known to work (it's the same that is already on software.eessi.io).

The easyconfig file also only needed minor changes. I included the patches, which works, and should mirror a scenario where a developer wants to also ship a patch to their dev version.

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Instance dev.eessi.io-bot-mc-azure is configured to build for:

  • architectures: x86_64/amd/zen2
  • repositories: dev.eessi.io

@Neves-P Neves-P changed the title Add GROMACS easyconfig template with software-commit Add GROMACS easyconfig template with software-commit Sep 27, 2024
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boegel commented Oct 7, 2024

bot: build

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dev-eessi-io-bot-example-aws bot commented Oct 7, 2024

Updates by the bot instance dev.eessi.io-bot-mc-azure (click for details)

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dev-eessi-io-bot-example-aws bot commented Oct 7, 2024

New job on instance dev.eessi.io-bot-mc-azure for architecture x86_64-amd-zen2 for repository dev.eessi.io in job dir /project/def-users/SHARED/jobs/2024.10/pr_2/76

date job status comment
Oct 07 13:21:41 UTC 2024 submitted job id 76 awaits release by job manager
Oct 07 13:22:40 UTC 2024 released job awaits launch by Slurm scheduler
Oct 07 13:27:43 UTC 2024 running job 76 is running
Oct 07 13:29:45 UTC 2024 finished
😢 FAILURE (click triangle for details)
Details
✅ job output file slurm-76.out
❌ found message matching ERROR:
✅ no message matching FAILED:
✅ no message matching required modules missing:
❌ no message matching No missing installations
✅ found message matching .tar.gz created!
Artefacts
eessi-2023.06-software-linux-x86_64-amd-zen2-1728307740.tar.gzsize: 0 MiB (3310 bytes)
entries: 2
modules under 2023.06/software/linux/x86_64/amd/zen2/modules/all
no module files in tarball
software under 2023.06/software/linux/x86_64/amd/zen2/software
no software packages in tarball
other under 2023.06/software/linux/x86_64/amd/zen2
.lmod/SitePackage.lua
.lmod/lmodrc.lua
Oct 07 13:29:45 UTC 2024 test result
🤷 UNKNOWN (click triangle for detailed information)
  • Job test file _bot_job76.test does not exist in job directory or reading it failed.

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Neves-P commented Oct 7, 2024

bot: build

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dev-eessi-io-bot-example-aws bot commented Oct 7, 2024

Updates by the bot instance dev.eessi.io-bot-mc-azure (click for details)

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dev-eessi-io-bot-example-aws bot commented Oct 7, 2024

New job on instance dev.eessi.io-bot-mc-azure for architecture x86_64-amd-zen2 for repository dev.eessi.io in job dir /project/def-users/SHARED/jobs/2024.10/pr_2/78

date job status comment
Oct 07 15:37:02 UTC 2024 submitted job id 78 awaits release by job manager
Oct 07 15:37:05 UTC 2024 released job awaits launch by Slurm scheduler
Oct 07 15:41:32 UTC 2024 running job 78 is running
Oct 07 15:43:43 UTC 2024 finished
😢 FAILURE (click triangle for details)
Details
✅ job output file slurm-78.out
❌ found message matching ERROR:
✅ no message matching FAILED:
✅ no message matching required modules missing:
❌ no message matching No missing installations
✅ found message matching .tar.gz created!
Artefacts
eessi-2023.06-software-linux-x86_64-amd-zen2-1728315743.tar.gzsize: 0 MiB (3306 bytes)
entries: 2
modules under 2023.06/software/linux/x86_64/amd/zen2/modules/all
no module files in tarball
software under 2023.06/software/linux/x86_64/amd/zen2/software
no software packages in tarball
other under 2023.06/software/linux/x86_64/amd/zen2
.lmod/SitePackage.lua
.lmod/lmodrc.lua
Oct 07 15:43:43 UTC 2024 test result
🤷 UNKNOWN (click triangle for detailed information)
  • Job test file _bot_job78.test does not exist in job directory or reading it failed.

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Neves-P commented Oct 8, 2024

bot: build

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dev-eessi-io-bot-example-aws bot commented Oct 8, 2024

Updates by the bot instance dev.eessi.io-bot-mc-azure (click for details)

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dev-eessi-io-bot-example-aws bot commented Oct 8, 2024

New job on instance dev.eessi.io-bot-mc-azure for architecture x86_64-amd-zen2 for repository dev.eessi.io in job dir /project/def-users/SHARED/jobs/2024.10/pr_2/80

date job status comment
Oct 08 07:40:44 UTC 2024 submitted job id 80 awaits release by job manager
Oct 08 07:40:54 UTC 2024 released job awaits launch by Slurm scheduler
Oct 08 07:45:19 UTC 2024 running job 80 is running
Oct 08 07:46:25 UTC 2024 finished
😢 FAILURE (click triangle for details)
Details
✅ job output file slurm-80.out
❌ found message matching ERROR:
❌ found message matching FAILED:
❌ found message matching required modules missing:
❌ no message matching No missing installations
✅ found message matching .tar.gz created!
Artefacts
eessi-2023.06-software-linux-x86_64-amd-zen2-1728373526.tar.gzsize: 0 MiB (3310 bytes)
entries: 2
modules under 2023.06/software/linux/x86_64/amd/zen2/modules/all
no module files in tarball
software under 2023.06/software/linux/x86_64/amd/zen2/software
no software packages in tarball
other under 2023.06/software/linux/x86_64/amd/zen2
.lmod/SitePackage.lua
.lmod/lmodrc.lua
Oct 08 07:46:25 UTC 2024 test result
🤷 UNKNOWN (click triangle for detailed information)
  • Job test file _bot_job80.test does not exist in job directory or reading it failed.

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boegel commented Oct 11, 2024

bot: build

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dev-eessi-io-bot-example-aws bot commented Oct 11, 2024

Updates by the bot instance dev.eessi.io-bot-mc-azure (click for details)

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dev-eessi-io-bot-example-aws bot commented Oct 11, 2024

New job on instance dev.eessi.io-bot-mc-azure for architecture x86_64-amd-zen2 for repository dev.eessi.io in job dir /project/def-users/SHARED/jobs/2024.10/pr_2/84

date job status comment
Oct 11 08:03:57 UTC 2024 submitted job id 84 awaits release by job manager
Oct 11 08:04:49 UTC 2024 released job awaits launch by Slurm scheduler
Oct 11 08:08:52 UTC 2024 running job 84 is running
Oct 11 08:09:53 UTC 2024 finished
😢 FAILURE (click triangle for details)
Details
✅ job output file slurm-84.out
❌ found message matching ERROR:
❌ found message matching FAILED:
❌ found message matching required modules missing:
❌ no message matching No missing installations
✅ found message matching .tar.gz created!
Artefacts
Details
No artefacts were created or found.
Oct 11 08:09:53 UTC 2024 test result
🤷 UNKNOWN (click triangle for detailed information)
  • Job test file _bot_job84.test does not exist in job directory or reading it failed.

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Neves-P commented Oct 11, 2024

bot: build

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dev-eessi-io-bot-example-aws bot commented Oct 11, 2024

Updates by the bot instance dev.eessi.io-bot-mc-azure (click for details)

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dev-eessi-io-bot-example-aws bot commented Oct 11, 2024

New job on instance dev.eessi.io-bot-mc-azure for architecture x86_64-amd-zen2 for repository dev.eessi.io in job dir /project/def-users/SHARED/jobs/2024.10/pr_2/85

date job status comment
Oct 11 12:22:26 UTC 2024 submitted job id 85 awaits release by job manager
Oct 11 12:23:18 UTC 2024 released job awaits launch by Slurm scheduler
Oct 11 12:27:21 UTC 2024 running job 85 is running
Oct 11 12:28:22 UTC 2024 finished
😢 FAILURE (click triangle for details)
Details
✅ job output file slurm-85.out
❌ found message matching ERROR:
✅ no message matching FAILED:
✅ no message matching required modules missing:
❌ no message matching No missing installations
✅ found message matching .tar.gz created!
Artefacts
Details
No artefacts were created or found.
Oct 11 12:28:22 UTC 2024 test result
🤷 UNKNOWN (click triangle for detailed information)
  • Job test file _bot_job85.test does not exist in job directory or reading it failed.

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Neves-P commented Oct 11, 2024

bot: build

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dev-eessi-io-bot-example-aws bot commented Oct 11, 2024

Updates by the bot instance dev.eessi.io-bot-mc-azure (click for details)

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dev-eessi-io-bot-example-aws bot commented Oct 11, 2024

New job on instance dev.eessi.io-bot-mc-azure for architecture x86_64-amd-zen2 for repository dev.eessi.io in job dir /project/def-users/SHARED/jobs/2024.10/pr_2/86

date job status comment
Oct 11 12:38:34 UTC 2024 submitted job id 86 awaits release by job manager
Oct 11 12:39:26 UTC 2024 released job awaits launch by Slurm scheduler
Oct 11 12:40:28 UTC 2024 running job 86 is running
Oct 11 12:41:30 UTC 2024 finished
😢 FAILURE (click triangle for details)
Details
✅ job output file slurm-86.out
❌ found message matching ERROR:
❌ found message matching FAILED:
❌ found message matching required modules missing:
❌ no message matching No missing installations
✅ found message matching .tar.gz created!
Artefacts
eessi-2023.06-software-linux-x86_64-amd-zen2-1728650412.tar.gzsize: 0 MiB (45 bytes)
entries: 0
modules under 2023.06/software/linux/x86_64/amd/zen2/modules/all
no module files in tarball
software under 2023.06/software/linux/x86_64/amd/zen2/software
no software packages in tarball
other under 2023.06/software/linux/x86_64/amd/zen2
no other files in tarball
Oct 11 12:41:30 UTC 2024 test result
🤷 UNKNOWN (click triangle for detailed information)
  • Job test file _bot_job86.test does not exist in job directory or reading it failed.

@bedroge
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bedroge commented Oct 11, 2024

Missing checksum for d0f934abfd1394621c40858a2c2dd9123451df4e.tar.gz

How do we deal with this? It's a bit of a hassle to update it for every commit/build, so maybe we should just completely ignore/remove them?

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Neves-P commented Oct 11, 2024

Missing checksum for d0f934abfd1394621c40858a2c2dd9123451df4e.tar.gz

How do we deal with this? It's a bit of a hassle to update it for every commit/build, so maybe we should just completely ignore them?

I think we'll have to ignore them... That's what I did for ESPResSo. I'm convinced now that I pushed the wrong GROMACS easyconfig, because I installed it locally from a commit...! Anyway, we can make this one work.

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Neves-P commented Oct 11, 2024

bot: build

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dev-eessi-io-bot-example-aws bot commented Oct 11, 2024

Updates by the bot instance dev.eessi.io-bot-mc-azure (click for details)

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dev-eessi-io-bot-example-aws bot commented Oct 11, 2024

New job on instance dev.eessi.io-bot-mc-azure for architecture x86_64-amd-zen2 for repository dev.eessi.io in job dir /project/def-users/SHARED/jobs/2024.10/pr_2/87

date job status comment
Oct 11 12:45:40 UTC 2024 submitted job id 87 awaits release by job manager
Oct 11 12:46:33 UTC 2024 released job awaits launch by Slurm scheduler
Oct 11 12:47:36 UTC 2024 running job 87 is running
Oct 11 12:48:37 UTC 2024 finished
😢 FAILURE (click triangle for details)
Details
✅ job output file slurm-87.out
❌ found message matching ERROR:
❌ found message matching FAILED:
❌ found message matching required modules missing:
❌ no message matching No missing installations
✅ found message matching .tar.gz created!
Artefacts
eessi-2023.06-software-linux-x86_64-amd-zen2-1728650839.tar.gzsize: 0 MiB (45 bytes)
entries: 0
modules under 2023.06/software/linux/x86_64/amd/zen2/modules/all
no module files in tarball
software under 2023.06/software/linux/x86_64/amd/zen2/software
no software packages in tarball
other under 2023.06/software/linux/x86_64/amd/zen2
no other files in tarball
Oct 11 12:48:37 UTC 2024 test result
🤷 UNKNOWN (click triangle for detailed information)
  • Job test file _bot_job87.test does not exist in job directory or reading it failed.

Co-authored-by: Bob Dröge <b.e.droge@rug.nl>
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Neves-P commented Oct 11, 2024

bot: build

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dev-eessi-io-bot-example-aws bot commented Oct 11, 2024

Updates by the bot instance dev.eessi.io-bot-mc-azure (click for details)

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dev-eessi-io-bot-example-aws bot commented Oct 11, 2024

New job on instance dev.eessi.io-bot-mc-azure for architecture x86_64-amd-zen2 for repository dev.eessi.io in job dir /project/def-users/SHARED/jobs/2024.10/pr_2/88

date job status comment
Oct 11 12:51:02 UTC 2024 submitted job id 88 awaits release by job manager
Oct 11 12:51:40 UTC 2024 released job awaits launch by Slurm scheduler
Oct 11 12:52:43 UTC 2024 running job 88 is running
Oct 11 13:29:29 UTC 2024 finished
😁 SUCCESS (click triangle for details)
Details
✅ job output file slurm-88.out
✅ no message matching ERROR:
✅ no message matching FAILED:
✅ no message matching required modules missing:
✅ found message(s) matching No missing installations
✅ found message matching .tar.gz created!
Artefacts
eessi-2023.06-software-linux-x86_64-amd-zen2-1728653300.tar.gzsize: 47 MiB (50073773 bytes)
entries: 660
modules under 2023.06/software/linux/x86_64/amd/zen2/modules/all
GROMACS/2024.3-foss-2023b-d0f934abfd1394621c40858a2c2dd9123451df4e.lua
software under 2023.06/software/linux/x86_64/amd/zen2/software
GROMACS/2024.3-foss-2023b-d0f934abfd1394621c40858a2c2dd9123451df4e
other under 2023.06/software/linux/x86_64/amd/zen2
no other files in tarball
Oct 11 13:29:29 UTC 2024 test result
🤷 UNKNOWN (click triangle for detailed information)
  • Job test file _bot_job88.test does not exist in job directory or reading it failed.
Oct 11 15:32:01 UTC 2024 uploaded transfer of eessi-2023.06-software-linux-x86_64-amd-zen2-1728653300.tar.gz to S3 bucket succeeded

@Neves-P Neves-P added the bot:deploy Ask bot to deploy missing software installations to dev.eessi.io label Oct 11, 2024
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boegel commented Oct 11, 2024

Staging PR merged

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boegel commented Oct 11, 2024

Module is in place:

$ ls /cvmfs/dev.eessi.io/versions/2023.06/software/linux/x86_64/amd/zen2/modules/all/GROMACS
2024.3-foss-2023b-d0f934abfd1394621c40858a2c2dd9123451df4e.lua

@boegel boegel merged commit c6380e7 into EESSI:main Oct 11, 2024
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PR merged! Moved ['/project/def-users/SHARED/jobs/2024.10/pr_2/76', '/project/def-users/SHARED/jobs/2024.10/pr_2/78', '/project/def-users/SHARED/jobs/2024.10/pr_2/80', '/project/def-users/SHARED/jobs/2024.10/pr_2/84', '/project/def-users/SHARED/jobs/2024.10/pr_2/85', '/project/def-users/SHARED/jobs/2024.10/pr_2/86', '/project/def-users/SHARED/jobs/2024.10/pr_2/87', '/project/def-users/SHARED/jobs/2024.10/pr_2/88'] to $HOME/trash_bin/EESSI/dev.eessi.io-example/2024.10.11

Neves-P added a commit that referenced this pull request Mar 4, 2025
Neves-P added a commit that referenced this pull request Apr 3, 2025
Neves-P added a commit that referenced this pull request Apr 8, 2025
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