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@Crivella Crivella commented Dec 9, 2025

OpenBabel test_step will fail in a rebuild scenario due to memory errors (vary from double-free to null pointers) when testing the python bindings

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Crivella commented Dec 9, 2025

@Crivella Crivella added this to the next release (5.2.0) milestone Dec 9, 2025
@boegel boegel changed the title OpenBabel: Re-create installdir at start of EBlock enhance OpenBabel easyblock to re-create install dir (which may already exist) in prepare step Dec 9, 2025
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lgtm

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boegel commented Dec 9, 2025

Test report by @boegel

Overview of tested easyconfigs (in order)

  • SUCCESS OpenBabel-3.1.1-gompi-2024a.eb

Build succeeded for 1 out of 1 (total: 8 mins 9 secs) (1 easyconfigs in total)
node4216.shinx.os - Linux RHEL 9.6, x86_64, AMD EPYC 9654 96-Core Processor (zen4), Python 3.9.21
See https://gist.github.com/boegel/40f21113bce3e01f78106fd0dade31e4 for a full test report.

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boegel commented Dec 9, 2025

Test report by @boegel

Overview of tested easyconfigs (in order)

  • SUCCESS OpenBabel-3.1.1-gompi-2024a.eb

Build succeeded for 1 out of 1 (total: 9 mins 23 secs) (1 easyconfigs in total)
node4216.shinx.os - Linux RHEL 9.6, x86_64, AMD EPYC 9654 96-Core Processor (zen4), Python 3.9.21
See https://gist.github.com/boegel/32318a692c84c42d7eb979ffdcb10237 for a full test report.

@boegel boegel merged commit 052dc39 into easybuilders:develop Dec 9, 2025
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@Crivella Crivella deleted the fix-obabel branch December 9, 2025 12:18
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