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add extensions to ESM-2 to enhance it for esmfold#16841

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lexming merged 3 commits intoeasybuilders:developfrom
smoors:20221208181041_new_pr_ESM-2200
Dec 12, 2022
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add extensions to ESM-2 to enhance it for esmfold#16841
lexming merged 3 commits intoeasybuilders:developfrom
smoors:20221208181041_new_pr_ESM-2200

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@smoors smoors commented Dec 8, 2022

(created using eb --new-pr)

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lexming requested changes Dec 8, 2022
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Please also update the non-CUDA easyconfig of ESM

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lexming commented Dec 9, 2022

@boegelbot: please test @ generoso

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boegelbot commented Dec 9, 2022

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

PR test command 'EB_PR=16841 EB_ARGS= EB_CONTAINER= /opt/software/slurm/bin/sbatch --job-name test_PR_16841 --ntasks=4 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

  • exit code: 0
  • output:
Submitted batch job 9729

Test results coming soon (I hope)...

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- notification for comment with ID 1344460648 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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boegelbot commented Dec 9, 2022

Test report by @boegelbot
FAILED
Build succeeded for 0 out of 2 (2 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/e9a72ff8b41b507f7ff75eb3544a265c for a full test report.

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lexming previously requested changes Dec 9, 2022
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Java is a dependency of omegaconf:

Building wheels for collected packages: omegaconf
  Created temporary directory: /tmp/eb-d425a19m/pip-wheel-sk_x6obf
  Destination directory: /tmp/eb-d425a19m/pip-wheel-sk_x6obf
  Building wheel for omegaconf (PEP 517): started
  Running command /project/boegelbot/Rocky8/haswell/software/Python/3.9.5-GCCcore-10.3.0/bin/python /project/boegelbot/Rocky8/haswell/software/Python/3.9.5-GCCcore-10.3.0/lib/python3.9/site-packages/pip/_vendor/pep517/in_process/_in_process.py build_wheel /tmp/eb-d425a19m/tmpugz0xg9_
  running bdist_wheel
  running build
  running build_py
  running clean
  Generating parsers with antlr4
  running antlr
  Generating parser for Python3: ['java', '-jar', '/tmp/eb-d425a19m/pip-req-build-7f0_qqfe/build_helpers/bin/antlr-4.9.3-complete.jar', '-Dlanguage=Python3', '-o', '/tmp/eb-d425a19m/pip-req-build-7f0_qqfe/omegaconf/grammar/gen', '-Xexact-output-dir', '-visitor', '/tmp/eb-d425a19m/pip-req-build-7f0_qqfe/omegaconf/grammar/OmegaConfGrammarLexer.g4']
  ===========================================================================
  | Unable to generate parsers: [Errno 2] No such file or directory: 'java' |
  ===========================================================================
  Building wheel for omegaconf (PEP 517): finished with status 'error'
  ERROR: Failed building wheel for omegaconf

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smoors commented Dec 11, 2022

@boegelbot: please test @ generoso

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boegelbot commented Dec 11, 2022

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

PR test command 'EB_PR=16841 EB_ARGS= EB_CONTAINER= /opt/software/slurm/bin/sbatch --job-name test_PR_16841 --ntasks=4 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

  • exit code: 0
  • output:
Submitted batch job 9739

Test results coming soon (I hope)...

Details

- notification for comment with ID 1345517391 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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boegelbot commented Dec 11, 2022

Test report by @boegelbot
SUCCESS
Build succeeded for 2 out of 2 (2 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/d43ee1c20ed534e23f82b402c1339c96 for a full test report.

@smoors smoors dismissed lexming’s stale review December 11, 2022 18:10

requested changes done

lexming
lexming approved these changes Dec 12, 2022
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LGTM

@lexming lexming added this to the next release (4.7.0) milestone Dec 12, 2022
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lexming commented Dec 12, 2022

Going in, thanks @smoors !

@lexming lexming merged commit 473d8b0 into easybuilders:develop Dec 12, 2022
@boegel boegel changed the title enhance ESM-2 for esmfold add extensions to ESM-2 to enhance it for esmfold Dec 21, 2022
@smoors smoors deleted the 20221208181041_new_pr_ESM-2200 branch January 21, 2026 09:24
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