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{bio}[GCCcore/13.3.0] rDock v24.03.192 #22012

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{bio}[GCCcore/13.3.0] rDock v24.03.192 #22012

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sassy-crick
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(created using eb --new-pr)

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@boegelbot please test @ generoso

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@sassy-crick: Request for testing this PR well received on login1

PR test command 'EB_PR=22012 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs /opt/software/slurm/bin/sbatch --job-name test_PR_22012 --ntasks=4 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

  • exit code: 0
  • output:
Submitted batch job 14852

Test results coming soon (I hope)...

- notification for comment with ID 2536806116 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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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/54fd07468c84c27c627eba17ee322759 for a full test report.

smoors
smoors reviewed Dec 12, 2024
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easybuild/easyconfigs/r/rDock/rDock-24.03.192-GCCcore-13.3.0.eb
sanity_check_paths = {
'files': ['bin/rbhtfinder', 'bin/sdreport', 'bin/run_rbdock.pl', 'lib/libRbt.so'],
'dirs': ['include'],
}
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can you add some sanity_check_commands here? for example

sanity_check_commands = [
    'rbdock --help',
    'rbcavity --help',
]

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@sassy-crick @boegelbot @smoors