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easybuilders / easybuild-easyconfigs

A collection of easyconfig files that describe which software to build using which build options with EasyBuild.
https://easybuild.io
GNU General Public License v2.0
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{chem}[foss/2023a] RDKit v2024.03.3 #20824

Open pavelToman opened 1 week ago

pavelToman commented 1 week ago

(created using eb --new-pr)

Requires Boost.python from:

boegel commented 1 week ago

@boegelbot please test @ generoso

boegel commented 1 week ago

Test report by @boegel SUCCESS Build succeeded for 1 out of 1 (1 easyconfigs in total) node3107.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/af7a2b4ec0f21f2db259e44e989f37e8 for a full test report.

boegelbot commented 1 week ago

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

PR test command 'EB_PR=20824 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs /opt/software/slurm/bin/sbatch --job-name test_PR_20824 --ntasks=4 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

Test results coming soon (I hope)...

*- notification for comment with ID 2178501140 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 commented 1 week ago

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/b82a2e678206c326f723846efad92c6f for a full test report.

boegel commented 1 week ago

@boegelbot please test @ jsc-zen3

boegelbot commented 1 week ago

@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=20824 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_20824 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

Test results coming soon (I hope)...

*- notification for comment with ID 2179107309 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 commented 1 week ago

Test report by @boegelbot FAILED Build succeeded for 0 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/364cb1ed51f94a100b35c845ac252857 for a full test report.

pavelToman commented 6 days ago

@boegelbot please test @ jsc-zen3

boegelbot commented 6 days ago

@pavelToman: 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=20824 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_20824 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

Test results coming soon (I hope)...

*- notification for comment with ID 2180130927 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 commented 6 days ago

Test report by @boegelbot FAILED Build succeeded for 0 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/7e1dfa0d4aadc5e46043719e2df99415 for a full test report.