{bio}[foss/2022a] AlphaPulldown v2.0.0b4, Uni-Core v0.0.3 by boegel · Pull Request #21179 · easybuilders/easybuild-easyconfigs

boegel · 2024-08-14T11:40:04Z

(created using eb --new-pr)

boegel · 2024-08-14T12:37:50Z

@boegelbot please test @ generoso

boegelbot · 2024-08-14T12:40:06Z

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

PR test command 'EB_PR=21179 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs /opt/software/slurm/bin/sbatch --job-name test_PR_21179 --ntasks=4 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

exit code: 0
output:

Submitted batch job 14075

Test results coming soon (I hope)...

Details

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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 · 2024-08-14T12:49:26Z

Test report by @boegelbot
SUCCESS
Build succeeded for 2 out of 2 (2 easyconfigs in total)
cns2 - 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/41db4d71637f3ee09e2ceeee3e23d3e1 for a full test report.

boegel · 2024-08-14T16:41:52Z

@boegelbot please test @ jsc-zen3

boegelbot · 2024-08-14T16:50:08Z

@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=21179 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_21179 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

exit code: 0
output:

Submitted batch job 4685

Test results coming soon (I hope)...

Details

- notification for comment with ID 2289285382 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 · 2024-08-14T16:56:08Z

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 9.4, x86_64, AMD EPYC-Milan Processor (zen3), Python 3.9.18
See https://gist.github.com/boegelbot/e71f9d914978fc9cc81fddf46b015340 for a full test report.

boegel · 2024-08-16T01:56:45Z

Test report by @boegel
SUCCESS
Build succeeded for 2 out of 2 (2 easyconfigs in total)
node3103.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/8d6229118c12a06ece6fdd6ce55e21b0 for a full test report.

…t convert_to_modelcif.py

boegel · 2024-08-21T14:31:06Z

Test report by @boegel
SUCCESS
Build succeeded for 2 out of 2 (2 easyconfigs in total)
node3116.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/94b362970f69e98660720d9eb84c5731 for a full test report.

boegel · 2024-08-21T14:50:21Z

@boegelbot please test @ generoso

boegelbot · 2024-08-21T14:55:10Z

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

PR test command 'EB_PR=21179 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs /opt/software/slurm/bin/sbatch --job-name test_PR_21179 --ntasks=4 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

exit code: 0
output:

Submitted batch job 14121

Test results coming soon (I hope)...

Details

- notification for comment with ID 2302243611 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 · 2024-08-21T15:04:38Z

Test report by @boegelbot
SUCCESS
Build succeeded for 2 out of 2 (2 easyconfigs in total)
cns2 - 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/0dd941e93e97c05594a8800c035c13a0 for a full test report.

boegel · 2024-08-21T15:12:11Z

@boegelbot please test @ jsc-zen3

boegelbot · 2024-08-21T15:20:16Z

@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=21179 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_21179 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

exit code: 0
output:

Submitted batch job 4729

Test results coming soon (I hope)...

Details

- notification for comment with ID 2302326016 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 · 2024-08-21T15:25:27Z

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 9.4, x86_64, AMD EPYC-Milan Processor (zen3), Python 3.9.18
See https://gist.github.com/boegelbot/20682fc3a5e44f7d1760e19cd6dfdec3 for a full test report.

laraPPr

lgtm

laraPPr · 2024-08-22T10:15:49Z

Test report by @laraPPr
SUCCESS
Build succeeded for 2 out of 2 (2 easyconfigs in total)
node3520.doduo.os - Linux RHEL 8.8, x86_64, AMD EPYC 7552 48-Core Processor, Python 3.11.3
See https://gist.github.com/laraPPr/dc96091fcce163225eedc92dabdca3f8 for a full test report.

laraPPr · 2024-08-22T10:18:01Z

Going in, thanks @boegel!

boegel added new update labels Aug 14, 2024

This was referenced Aug 14, 2024

{bio}[system] AlphaPulldown v1.0.4 /w CUDA 11.8.0; conda based #20591

Closed

{bio,lib}[foss/2022a] AlphaPulldown v0.30.7, cctbx-base v2023.5 #18506

Closed

cctbx draft #18569

Closed

boegel added this to the 4.x milestone Aug 14, 2024

{bio}[foss/2022a] AlphaPulldown v2.0.0b4, Uni-Core v0.0.3

bb6e877

boegel force-pushed the 20240814133959_new_pr_AlphaPulldown200b4 branch from 2fe6486 to bb6e877 Compare August 14, 2024 11:59

boegel mentioned this pull request Aug 14, 2024

AlphaPullDown vscentrum/vsc-software-stack#39

Closed

ThomasHoffmann77 mentioned this pull request Aug 17, 2024

{bio}[foss/2023a] AlphaPulldown v2.0.0 Uni-Core v0.0.3 w/ CUDA v12.1.1 #21204

Merged

1 task

add missing ihm + modelcif extensions required by AlphaPullDown scrip…

99abe91

…t convert_to_modelcif.py

laraPPr approved these changes Aug 22, 2024

View reviewed changes

laraPPr merged commit 50b96ee into easybuilders:develop Aug 22, 2024

laraPPr removed this from the 4.x milestone Aug 26, 2024

laraPPr added this to the release after 4.9.2 milestone Aug 26, 2024

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