{bio}[foss/2022a] ProteinMPNN v1.0.1_20230627 by laraPPr · Pull Request #20705 · easybuilders/easybuild-easyconfigs

laraPPr · 2024-06-03T14:17:14Z

(created using eb --new-pr)

laraPPr · 2024-06-03T14:19:36Z

Test report by @laraPPr
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
node4003.donphan.os - Linux RHEL 8.8 (Ootpa), x86_64, Intel(R) Xeon(R) Gold 6240 CPU @ 2.60GHz, 1 x NVIDIA NVIDIA A2, 545.23.08, Python 3.11.3
See https://gist.github.com/laraPPr/253c071609eb705aa61de48b7048e8a2 for a full test report.

laraPPr · 2024-06-03T15:45:01Z

Test report by @laraPPr
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
node4003.donphan.os - Linux RHEL 8.8 (Ootpa), x86_64, Intel(R) Xeon(R) Gold 6240 CPU @ 2.60GHz, 1 x NVIDIA NVIDIA A2, 545.23.08, Python 3.11.3
See https://gist.github.com/laraPPr/da31346fbdaed75f3337f0cb94172cde for a full test report.

laraPPr · 2024-06-03T15:46:44Z

@boegelbot please test @ generoso

boegelbot · 2024-06-03T15:50:08Z

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

PR test command 'EB_PR=20705 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs /opt/software/slurm/bin/sbatch --job-name test_PR_20705 --ntasks=4 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

exit code: 0
output:

Submitted batch job 13612

Test results coming soon (I hope)...

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boegelbot · 2024-06-03T15:51:37Z

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/7769aa8045c21e1ae57ed3d294713f64 for a full test report.

laraPPr · 2024-06-03T17:59:00Z

@boegelbot please test @ jsc-zen3

boegelbot · 2024-06-03T18:00:08Z

@laraPPr: 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=20705 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_20705 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

exit code: 0
output:

Submitted batch job 4267

Test results coming soon (I hope)...

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boegelbot · 2024-06-03T18:13:02Z

Test report by @boegelbot
SUCCESS
Build succeeded for 2 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/df31f16897e155dfb4ad063608d3d6c0 for a full test report.

verdurin · 2024-06-04T10:03:06Z

Test report by @verdurin
SUCCESS
Build succeeded for 2 out of 2 (1 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/c58206b7ec530c143478aac9787f1692 for a full test report.

verdurin · 2024-06-04T10:06:24Z

+
+name = 'ProteinMPNN'
+version = '1.0.1_20230627'
+local_commit = '8907e6671bfbfc92303b5f79c4b5e6ce47cdef57'


@laraPPr I think it's more idiomatic to use:

Suggested change

local_commit = '8907e6671bfbfc92303b5f79c4b5e6ce47cdef57'

local_commit = '8907e6671bfbfc92303b5f79c4b5e6ce47cdef57'

version suffix = '-CUDA-%(cudaver)s`

here and replace the later instances with versionsuffix.

You should then also add the version suffix to the filename.

@verdurin I've have updated the easyconfig

Co-authored-by: Adam Huffman <[email protected]>

laraPPr · 2024-06-07T09:41:23Z

@verdurin is it now in order. Should test it again since the changes?

boegel · 2024-06-08T07:31:18Z

@boegelbot please test @ generoso

boegel · 2024-06-08T07:33:05Z

Test report by @boegel
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
node3303.joltik.os - Linux RHEL 8.8, x86_64, Intel(R) Xeon(R) Gold 6242 CPU @ 2.80GHz (cascadelake), 1 x NVIDIA Tesla V100-SXM2-32GB, 545.23.08, Python 3.6.8
See https://gist.github.com/boegel/4b7339336d64e085081c40286b42fc79 for a full test report.

boegelbot · 2024-06-08T07:35:09Z

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

PR test command 'EB_PR=20705 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs /opt/software/slurm/bin/sbatch --job-name test_PR_20705 --ntasks=4 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

exit code: 0
output:

Submitted batch job 13676

Test results coming soon (I hope)...

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boegelbot · 2024-06-08T07:36:38Z

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/b1fc0801459aa8fe8a58a78ccc81b21a for a full test report.

boegel · 2024-06-08T07:39:26Z

@boegelbot please test @ jsc-zen3

boegelbot · 2024-06-08T07:40:12Z

@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=20705 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_20705 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

exit code: 0
output:

Submitted batch job 4326

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 · 2024-06-08T07:40:51Z

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/ce35074cc61c8b5598c92c46587a32c9 for a full test report.

requested changes made

boegel · 2024-06-08T07:57:07Z

Going in, thanks @laraPPr!

adding easyconfigs: ProteinMPNN-1.0.1_20230627-foss-2022a.eb

129cc8d

vsc46128 and others added 2 commits June 3, 2024 16:28

add sanity check command

8dd701b

Fix whitespace

fb2215a

verdurin added the new label Jun 4, 2024

verdurin added this to the release after 4.9.1 milestone Jun 4, 2024

verdurin requested changes Jun 4, 2024

View reviewed changes

vsc46128 and others added 2 commits June 4, 2024 21:37

add version suffix

df22456

remove file without versionsuffix

6f294a2

verdurin previously requested changes Jun 5, 2024

View reviewed changes

laraPPr and others added 3 commits June 6, 2024 00:31

Update ProteinMPNN-1.0.1_20230627-foss-2022a-CUDA-11.7.0.eb

58af711

Co-authored-by: Adam Huffman <[email protected]>

Update ProteinMPNN-1.0.1_20230627-foss-2022a-CUDA-11.7.0.eb

2083ada

Co-authored-by: Adam Huffman <[email protected]>

Update ProteinMPNN-1.0.1_20230627-foss-2022a-CUDA-11.7.0.eb

888da7e

Co-authored-by: Adam Huffman <[email protected]>

boegel requested changes Jun 8, 2024

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Comment thread easybuild/easyconfigs/p/ProteinMPNN/ProteinMPNN-1.0.1_20230627-foss-2022a-CUDA-11.7.0.eb Outdated

boegel added 2 commits June 8, 2024 09:24

fix torchaudion dependency spec in ProteinMPNN easyconfig

7bdf751

prefer - over _ in version for ProteinMPNN

353210b

boegel requested changes Jun 8, 2024

View reviewed changes

Comment thread easybuild/easyconfigs/p/ProteinMPNN/ProteinMPNN-1.0.1_20230627-foss-2022a-CUDA-11.7.0.eb Outdated

boegel approved these changes Jun 8, 2024

View reviewed changes

boegel merged commit f84209c into easybuilders:develop Jun 8, 2024

boegel modified the milestones: 4.9.2, release after 4.9.2 Jun 8, 2024

	local_commit = '8907e6671bfbfc92303b5f79c4b5e6ce47cdef57'
	local_commit = '8907e6671bfbfc92303b5f79c4b5e6ce47cdef57'
	version suffix = '-CUDA-%(cudaver)s`

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laraPPr commented Jun 3, 2024

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