[Debichem-devel] Bug#1093086: rdkit: FTBFS on big-endian architectures

Andrius Merkys merkys at debian.org
Wed Jan 15 07:54:26 GMT 2025


Source: rdkit
Version: 202409.2-3
Severity: serious
Tags: ftbfs

Hello,

rdkit FTBFS in sid on s390x and ppc64. This manifests in the failure of 
many tests:

The following tests FAILED:
	  8 - testDataStructs (Subprocess aborted)
	  9 - testFPB (Subprocess aborted)
	 10 - testMultiFPB (Subprocess aborted)
	 13 - pyDiscreteValueVect (Failed)
	 14 - pySparseIntVect (Failed)
	 15 - pyFPB (Failed)
	 17 - testGrid (Subprocess aborted)
	 36 - graphmoltestPickler (Subprocess aborted)
	 54 - pickleTestsCatch (Failed)
	 79 - fileParsersCatchTest (Failed)
	 89 - substructTestCatch (Failed)
	 91 - testReaction (Subprocess aborted)
	 94 - rxnTestCatch (Failed)
	 95 - pyChemReactions (Failed)
	 96 - pyChemReactionEnumerations (Failed)
	124 - pyMolDescriptors (Failed)
	157 - moldraw2DTest1 (Subprocess aborted)
	158 - moldraw2DTestCatch (Failed)
	159 - moldraw2DRxnTest1 (Subprocess aborted)
	160 - pyMolDraw2D (Failed)
	179 - substructLibraryTest (Subprocess aborted)
	191 - pyGraphMolWrap (Failed)
	223 - pyRanker (Failed)
	225 - pyFeatures (Failed)

 From a quick glance it seems that a lot of problems are related to 
Python pickle reading. Upstream has made some fixes related to 
endianness in version 202409.4 [1], thus packaging the newer upstream 
version might mitigate the problem.

[1] https://github.com/rdkit/rdkit/pull/8105

Andrius



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