Summary

Bugs of task cheminformatics

Total bugs: 22

Open bugs: 17

Fixed bugs: 5

Links to other tasks

Tasks overview

Analytical biochemistry 9 (123)

Cheminformatics 17 (132)

Crystallography 9 (123)

C/c++/fortran development 39 (441)

Input preparation and output processing 8 (105)

Molecular ab initio calculations 29 (408)

Molecular dynamics 12 (192)

Molecular modelling 13 (174)

Periodic ab initio calculations 15 (186)

Semi empirical calculations 6 (99)

Chemical formula/structure editors 10 (93)

3d visualization 22 (276)

Legend

Severity	Dependent	Suggested
critical	0	0
grave	0	0
serious	0	0
important	4	0
normal	7	0
minor	3	0
wishlist	3	0

Summary bugs page of task Cheminformatics

Immediately looking into bugs of the dependencies of this task is advised (132)^*

Open bugs in dependent packages

4 important, 7 normal, 3 minor, 3 wishlist

cdk (1) Homepage: https://cdk.github.io/ Vcs Debian Java Maintainers
1081606	cdk: run upstream tests during build	help
inchi (1) Homepage: https://www.inchi-trust.org Vcs Debichem Team
1047729	inchi: Fails to build source after successful build	ftbfs, sid, trixie
indigo (4) 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	sid, trixie
openbabel (8) 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	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	upstream, security
1073561	openbabel: FTBFS: failing tests test_tautomer_2[27]	unreproducible, trixie, sid, ftbfs
rdkit (3) Homepage: http://www.rdkit.org Vcs Debichem Team
927955	python-rdkit: missing module pyAvalonTools
1069873	rdkit: FTBFS convert: Unable to read font (/usr/share/fonts/type1/gsfonts/n019003l.pfb).	ftbfs, sid
1077055	postgresql-16-rdkit: inchi support not included in rdkit build

Open bugs in suggested packages

Done bugs

inchi (1) Homepage: https://www.inchi-trust.org Vcs Debichem Team
1076519	inchi: package new version 1.07.0 of InChI (MIT license)
jni-inchi (1) Homepage: https://jni-inchi.sourceforge.net Vcs Debichem Team
1080517	jni-inchi: FTBFS with inchi 1.07.1	ftbfs
rdkit (3) Homepage: http://www.rdkit.org Vcs Debichem Team
964773	rdkit: Please build rdkit with inchi support
983040	rdkit: doesn't ship with inchi support enabled
983077	rdkit doesn't ship with inchi support enabled

^*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