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{bio}[intel/2020a] OpenMM-PLUMED v1.0 w/ Python 3.8.2#13268

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boegel merged 3 commits intoeasybuilders:developfrom
zarybnicky:20210628124226_new_pr_OpenMM-PLUMED10
Jun 28, 2021
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{bio}[intel/2020a] OpenMM-PLUMED v1.0 w/ Python 3.8.2#13268
boegel merged 3 commits intoeasybuilders:developfrom
zarybnicky:20210628124226_new_pr_OpenMM-PLUMED10

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@zarybnicky zarybnicky commented Jun 28, 2021

(created using eb --new-pr)

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Comment thread easybuild/easyconfigs/o/OpenMM-PLUMED/OpenMM-PLUMED-1.0-intel-2020a-Python-3.8.2.eb Outdated
sanity_check_paths = {
'files': ['include/PlumedForce.h', 'include/PlumedKernels.h',
'lib/libOpenMMPlumed.%s' % SHLIB_EXT,
'lib/python3.8/site-packages/openmmplumed.py'],
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@zarybnicky Please avoid hardcoding the Python version here, by using the %(pyshortver)s template:

'lib/python%(pyshortver)s/site-packages/openmmplumed.py'

@boegel boegel added the new label Jun 28, 2021
@boegel boegel added this to the 4.x milestone Jun 28, 2021
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boegel commented Jun 28, 2021

@boegelbot please test @ generoso

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boegelbot commented Jun 28, 2021

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

PR test command 'EB_PR=13268 EB_ARGS= /apps/slurm/default/bin/sbatch --job-name test_PR_13268 --ntasks=4 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

  • exit code: 0
  • output:
Submitted batch job 17637

Test results coming soon (I hope)...

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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).

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boegel commented Jun 28, 2021

Test report by @boegel
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
node2603.swalot.os - Linux centos linux 7.9.2009, x86_64, Intel(R) Xeon(R) CPU E5-2660 v3 @ 2.60GHz (haswell), Python 2.7.5
See https://gist.github.com/ce3379bed6389abdb81463d7148fc233 for a full test report.

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boegelbot commented Jun 28, 2021

Test report by @boegelbot
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
generoso-x-2 - Linux centos linux 8.2.2004, x86_64, Intel(R) Xeon(R) CPU E5-2667 v3 @ 3.20GHz (haswell), Python 3.6.8
See https://gist.github.com/5a5aabeb57ac0a3919fa4971efa0b425 for a full test report.

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boegel commented Jun 28, 2021

Test report by @boegel
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
node3615.doduo.os - Linux RHEL 8.2, x86_64, AMD EPYC 7552 48-Core Processor (zen2), Python 3.6.8
See https://gist.github.com/0743f98378fcbdf1f5fa97e05b4f5dec for a full test report.

@boegel boegel modified the milestones: 4.x, next release (4.4.1) Jun 28, 2021
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boegel commented Jun 28, 2021

Going in, thanks @zarybnicky!

@boegel boegel merged commit 9a40dfa into easybuilders:develop Jun 28, 2021
@zarybnicky zarybnicky deleted the 20210628124226_new_pr_OpenMM-PLUMED10 branch June 28, 2021 19:16
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