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Updating chemicaltoolbox/openbabel from version 3.1.1 to 3.2.1 - #1962

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RZ9082:chemicaltoolbox/openbabel
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Updating chemicaltoolbox/openbabel from version 3.1.1 to 3.2.1#1962
RZ9082 wants to merge 4 commits into
bgruening:masterfrom
RZ9082:chemicaltoolbox/openbabel

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@RZ9082

@RZ9082 RZ9082 commented Aug 17, 2026

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FOR CONTRIBUTOR:

  • I have read the CONTRIBUTING.md document and this tool is appropriate for the tools-iuc repo.
  • License permits unrestricted use (educational + commercial)
  • This PR adds a new tool or tool collection
  • This PR updates an existing tool or tool collection
  • This PR does something else (explain below)

Closes #1959

Comment thread chemicaltoolbox/openbabel/subsearch.xml
…ml, they are absent or read-only in the Open Babel 3.2.1

Remove cml from input format lists in macros.xml and ob_filter.xml

Update test data
</data>
</outputs>
<tests>
<test expect_failure="true">

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What I meant is, why is this expect_failure, I don't remember. And now we also removed the output, so this tool has no test as it seems. Not your fault, just wondering.

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2 participants