{vis}[foss/2020b] PyMOL v2.5.0 w/ Python 3.8.6 by guacke · Pull Request #16394 · easybuilders/easybuild-easyconfigs

guacke · 2022-10-12T14:24:38Z

(created using eb --new-pr)

guacke · 2022-10-12T14:25:31Z

Based on work done in PR #12582.

casparvl · 2022-10-13T15:01:53Z

@boegelbot please test @ generoso

boegelbot · 2022-10-13T15:05:09Z

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

PR test command 'EB_PR=16394 EB_ARGS= /opt/software/slurm/bin/sbatch --job-name test_PR_16394 --ntasks=4 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

exit code: 0
output:

Submitted batch job 9273

Test results coming soon (I hope)...

Details

- notification for comment with ID 1277757760 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 · 2022-10-13T15:08:50Z

Test report by @boegelbot
SUCCESS
Build succeeded for 1 out of 1 (1 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/daaece2ab0a3091912717a21e4f42587 for a full test report.

casparvl · 2022-10-14T15:02:17Z

@boegelbot please test @ generoso

boegelbot · 2022-10-14T15:05:09Z

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

PR test command 'EB_PR=16394 EB_ARGS= /opt/software/slurm/bin/sbatch --job-name test_PR_16394 --ntasks=4 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

exit code: 0
output:

Submitted batch job 9287

Test results coming soon (I hope)...

Details

- notification for comment with ID 1279126755 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 · 2022-10-14T15:09:14Z

Test report by @boegelbot
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
cns4 - 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/ca67087ebf52c8e547a0d93e12dedb92 for a full test report.

casparvl · 2022-10-14T15:20:07Z

@boegelbot please test @ jsc-zen2

boegelbot · 2022-10-14T15:22:10Z

@casparvl: Request for testing this PR well received on jsczen2l1.int.jsc-zen2.easybuild-test.cluster

PR test command 'EB_PR=16394 EB_ARGS= /opt/software/slurm/bin/sbatch --job-name test_PR_16394 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen2.sh' executed!

exit code: 0
output:

Submitted batch job 1695

Test results coming soon (I hope)...

Details

- notification for comment with ID 1279146639 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 · 2022-10-14T16:00:47Z

Test report by @boegelbot
FAILED
Build succeeded for 3 out of 4 (1 easyconfigs in total)
jsczen2c1.int.jsc-zen2.easybuild-test.cluster - Linux Rocky Linux 8.5, x86_64, AMD EPYC 7742 64-Core Processor (zen2), Python 3.6.8
See https://gist.github.com/0ee4af696e25497280d096850437b8cf for a full test report.

casparvl · 2022-10-14T16:10:33Z

The download link for Pmw-patched seems to not be working

== 2022-10-14 16:00:43,887 filetools.py:835 WARNING URL https://github.com/schrodinger/pmw-patched/archive/Pmw-patched-2.0.1-20200210-8bedfc8.zip was not found (HTTP response code 404), not trying again

Could you review the validity of the source_url and filename? You can make sure it works by passing --force-download to EasyBuild, to make sure it redownloads the file (instead of picking it up from your local source cache directory)

casparvl · 2022-10-17T11:33:17Z

@boegelbot please test @ jsc-zen2

boegelbot · 2022-10-17T11:37:10Z

@casparvl: Request for testing this PR well received on jsczen2l1.int.jsc-zen2.easybuild-test.cluster

PR test command 'EB_PR=16394 EB_ARGS= /opt/software/slurm/bin/sbatch --job-name test_PR_16394 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen2.sh' executed!

exit code: 0
output:

Submitted batch job 1698

Test results coming soon (I hope)...

Details

- notification for comment with ID 1280716831 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 · 2022-10-17T11:39:06Z

Test report by @boegelbot
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
jsczen2c1.int.jsc-zen2.easybuild-test.cluster - Linux Rocky Linux 8.5, x86_64, AMD EPYC 7742 64-Core Processor (zen2), Python 3.6.8
See https://gist.github.com/22508d7f32b1fd8851f437c83fcbb292 for a full test report.

casparvl · 2022-10-18T12:18:29Z

Test report by @casparvl
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
software2.lisa.surfsara.nl - Linux debian 10.13, x86_64, Intel(R) Xeon(R) Bronze 3104 CPU @ 1.70GHz, 4 x NVIDIA NVIDIA TITAN V, 470.103.01, Python 3.7.3
See https://gist.github.com/6a57f7be6f670c3d5dd61d8b39bf4bba for a full test report.

casparvl

Lgtm!

casparvl · 2022-10-18T16:17:49Z

Going in, thanks @guacke!

boegel · 2022-10-18T16:59:04Z

Test report by @boegel
SUCCESS
Build succeeded for 4 out of 4 (1 easyconfigs in total)
node3116.skitty.os - Linux RHEL 8.4, x86_64, Intel(R) Xeon(R) Gold 6140 CPU @ 2.30GHz (skylake_avx512), Python 3.6.8
See https://gist.github.com/3f32abf5bf2b331ff21e56ac63080753 for a full test report.

adding easyconfigs: PyMOL-2.5.0-foss-2020b-Python-3.8.6.eb

9704a24

guacke and others added 4 commits October 12, 2022 18:04

Style fixes.

c85aec2

Style fixes.

0893308

Style fixes.

ddcc55e

Delete PyMOL-2.5.0-foss-2020b-Python-3.8.6.eb

fb26afd

casparvl added the new label Oct 13, 2022

casparvl requested changes Oct 13, 2022

View reviewed changes

Comment thread easybuild/easyconfigs/p/PyMOL/PyMOL-2.5.0-foss-2020b.eb Outdated

Switch to PythonBundle.

142a79f

Fix download link Pmw.

fa0336c

guacke requested a review from casparvl October 15, 2022 11:08

casparvl approved these changes Oct 18, 2022

View reviewed changes

casparvl added this to the release after 4.6.2 milestone Oct 18, 2022

casparvl merged commit b946968 into easybuilders:develop Oct 18, 2022

casparvl removed this from the release after 4.6.2 milestone Oct 18, 2022

casparvl added this to the next release (4.6.2?) milestone Oct 18, 2022

Conversation

guacke commented Oct 12, 2022

Uh oh!

guacke commented Oct 12, 2022

Uh oh!

casparvl commented Oct 13, 2022

Uh oh!

boegelbot commented Oct 13, 2022

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boegelbot commented Oct 13, 2022

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casparvl commented Oct 14, 2022

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boegelbot commented Oct 14, 2022

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boegelbot commented Oct 14, 2022

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casparvl commented Oct 14, 2022

Uh oh!

boegelbot commented Oct 14, 2022

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boegelbot commented Oct 14, 2022

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casparvl commented Oct 14, 2022

Uh oh!

casparvl commented Oct 17, 2022

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boegelbot commented Oct 17, 2022

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boegelbot commented Oct 17, 2022

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casparvl commented Oct 18, 2022

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casparvl commented Oct 18, 2022

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