easybuilders
{chem}[GCCcore/12.3.0] Chargemol v3.5
The zip file also contains the Fortran source files, so would it be possible to compile this from source?
@WilleBell You might want to sync your PR with development, something like this:
eb --sync-pr-with-develop NUMBER_OF_PR
Test report by @WilleBell SUCCESS Build succeeded for 1 out of 1 (1 easyconfigs in total) node711.hydra.os - Linux Rocky Linux 9.5, x86_64, AMD EPYC 9535 64-Core Processor, Python 3.9.21 See https://gist.github.com/WilleBell/7012020d604149078a1fdc483523d16d for a full test report.
@WilleBell: 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=20885 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_20885 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!
- exit code: 0
- output:
Submitted batch job 6832
Test results coming soon (I hope)...
- notification for comment with ID 2979379077 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).
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 9.5, x86_64, AMD EPYC-Milan Processor (zen3), Python 3.9.21 See https://gist.github.com/boegelbot/c520157df1c8f7a76d2a002c57b3dec6 for a full test report.
Test report by @Crivella SUCCESS Build succeeded for 1 out of 1 (1 easyconfigs in total) crivella-desktop - Linux Ubuntu 22.04.5 LTS (Jammy Jellyfish), x86_64, 13th Gen Intel(R) Core(TM) i9-13900K (skylake), Python 3.11.13 See https://gist.github.com/Crivella/999d34df193f1636d749b89d24eca6c2 for a full test report.
