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🤖 Bump RDKit version to Release_2024_09_5 #123

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@github-actions github-actions bot commented Feb 1, 2025

New RDKit version tag detected in https://github.com/rdkit/rdkit.

@github-actions github-actions bot requested a review from kuelumbus February 1, 2025 01:45
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bertiewooster commented Feb 2, 2025

If I understand the error, the md5 checksum for INCHI-1-SRC.zip doesn't match its expected value. The same error occurs for all five tests (Python versions). This might be because the RDKit updated the version of InChI it uses. From the release notes:

bump the inchi version to 1.07.2
(github pull #8176 from greglandrum)

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bertiewooster commented Feb 3, 2025

That RDKit PR #8176 notes about the inchi version:

moves to using the github download instead of our copy

specifically

set(INCHI_URL "https://github.com/IUPAC-InChI/InChI/releases/download/v1.07.2/INCHI-1-SRC.zip")

Perhaps changing to that URL would solve the problem?

I created a PR #124 (for this branch, bump-rdkit-Release_2024_09_5) which changes that URL.

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