Summary

Bugs of task cheminformatics

Total bugs: 26

Open bugs: 22

Fixed bugs: 4

Links to other tasks

Tasks overview

Analytical biochemistry 22 (325)

Cheminformatics 22 (216)

Crystallography 9 (153)

C/c++/fortran development 36 (423)

Input preparation and output processing 12 (189)

Molecular ab initio calculations 26 (372)

Molecular dynamics 21 (261)

Molecular modelling 14 (228)

Periodic ab initio calculations 19 (234)

Semi empirical calculations 5 (54)

Chemical formula/structure editors 10 (93)

3d visualization 20 (306)

Legend

Severity	Dependent	Suggested
critical	0	0
grave	0	0
serious	2	0
important	5	0
normal	8	0
minor	3	0
wishlist	4	0

Summary bugs page of task Cheminformatics

Immediately looking into bugs of the dependencies of this task is advised (216)^*

Open bugs in dependent packages

2 serious, 5 important, 8 normal, 3 minor, 4 wishlist

cdk (1) Homepage: https://cdk.github.io/ Vcs Debian Java Maintainers
1081606	cdk: run upstream tests during build	help
indigo (5) Homepage: https://lifescience.opensource.epam.com/indigo/index.html Vcs Debichem Team
940035	libindigo-java: Absolute build paths in the MANIFEST.MF files
984541	indigo: package new upstream release
1003532	indigo-utils: chemdiff does not launch
1015429	indigo: ftbfs with LTO (link time optimization) enabled	forky, sid, trixie
1085647	indigo: Python SyntaxWarning
jni-inchi (1) Homepage: https://jni-inchi.sourceforge.net Vcs Debichem Team
1105405	jni-inchi: FTBFS with make --shuffle=reverse: Fatal error: can't create ../../../target/o/jni/JniInchiWrapper.o: No such file or directory	ftbfs, sid, trixie
openbabel (10) Homepage: https://openbabel.org Vcs Debichem Team
588248	Provide library for static linkage (libopenbabel.a)
716203	[Mayhem] Bug report on openbabel: obminimize crashes with exit status 139
716567	[Mayhem] Bug report on openbabel: obprobe crashes with exit status 139
823890	python-openbabel: doc-base error: openbabel and pybel already define html format
850546	openbabel-gui: Please add a desktop file for obgui
1046720	openbabel: Fails to build source after successful build	forky, ftbfs, sid, trixie
1059277	openbabel: CVE-2022-37331 CVE-2022-41793 CVE-2022-42885 CVE-2022-43467 CVE-2022-43607 CVE-2022-44451 CVE-2022-46280 CVE-2022-46289 CVE-2022-46290 CVE-2022-46291 CVE-2022-46292 CVE-2022-46293 CVE-2022-46294 CVE-2022-46295	security, upstream
1073561	openbabel: FTBFS: failing tests test_tautomer_2[27]	forky, ftbfs, sid, trixie, unreproducible
1107330	openbabel: autopkgtest uses large amounts of memory
1116462	openbabel: CVE-2025-10994 CVE-2025-10995 CVE-2025-10996 CVE-2025-10997 CVE-2025-10998 CVE-2025-10999 CVE-2025-11000	security, upstream
openchemlib (1) Homepage: https://github.com/Actelion/openchemlib Vcs Debian Java Maintainers
1108586	openchemlib: FTBFS with default Java 25	ftbfs
rdkit (3) Homepage: http://www.rdkit.org Vcs Debichem Team
927955	python-rdkit: missing module pyAvalonTools
1110701	rdkit ftbfs with GCC 15	forky, ftbfs, sid
1116968	rdkit: package new upstream release	help
smiles-scripts (1) Homepage: https://projects.ibt.lt/repositories/projects/smiles-scripts Vcs Debichem Team
1106828	autopkg test failures with libxml 2.14.x from experimental	forky, ftbfs, sid

Open bugs in suggested packages

Done bugs

indigo (1) Homepage: https://lifescience.opensource.epam.com/indigo/index.html Vcs Debichem Team
1113039	indigo: FTBFS with CMake 4	forky, ftbfs, sid
openbabel (2) Homepage: https://openbabel.org Vcs Debichem Team
1113350	openbabel: FTBFS with CMake 4	forky, ftbfs, sid
1116631	openbabel FTBFS on arm64 due to -Wl,--fatal-warnings	forky, ftbfs, patch, sid
osra (1) Homepage: https://sourceforge.net/p/osra/wiki/Home/ Vcs Debichem Team
1110270	osra FTCBFS: Misses cross specific options with configure	patch, pending

^*To estimate the overall status of the packages in the dependencies of a metapackage a weighted severity is calculated. Done bugs are ignored and bugs in dependent and recommended packages are weighted by factor three compared to suggested packages. Release critical bugs have a much larger weight than important, while the contribution of normal bugs is even smaller and minor bugs have a very small weight. Wishlist bugs are ignored in this calculation. The resulting sum is compared to some boundaries to find a verbal form. The actual numbers need some adjustment to make real sense - this evaluation method is in testing phase.
The severities of bugs are weighted as follows:

critical	10
grave	10
serious	10
important	5
normal	3
minor	1
wishlist	0