Summary

Bugs of task molecular-modelling

Total bugs: 16

Open bugs: 14

Fixed bugs: 2

Links to other tasks

Tasks overview

Analytical biochemistry 25 (375)

Cheminformatics 21 (195)

Crystallography 9 (168)

C/c++/fortran development 34 (363)

Input preparation and output processing 11 (174)

Molecular ab initio calculations 26 (372)

Molecular dynamics 21 (291)

Molecular modelling 14 (222)

Periodic ab initio calculations 20 (264)

Semi empirical calculations 5 (54)

Chemical formula/structure editors 11 (123)

3d visualization 21 (285)

Legend

Severity	Dependent	Suggested
critical	0	0
grave	0	0
serious	4	0
important	3	0
normal	6	0
minor	1	0
wishlist	0	0

Summary bugs page of task Molecular modelling

Immediately looking into bugs of the dependencies of this task is advised (222)^*

Open bugs in dependent packages

4 serious, 3 important, 6 normal, 1 minor

avogadro (1) Homepage: https://avogadro.cc/ Vcs Debichem Team
1110448	avogadro: FTBFS on arm64 with GCC-15 due to GCS warning
ball (3) Homepage: http://www.ball-project.org/ Vcs Debian Med Packaging Team
1040385	libball1.5-data: broken symlink: /usr/share/BALL-1.5/BALLView/html -> ../../doc/libball1.5-data/BALLView/html
1112717	ball: FTBFS with CMake 4	forky, ftbfs, sid
1114056	ball: FTBFS: /<<PKGBUILDDIR>>/include/BALL/DATATYPE/contourSurface.h:305:80: error: 'const class BALL::TContourSurface<T>' has no member named 'data_' [-Wtemplate-body]	forky, ftbfs, sid
macromoleculebuilder (2) Homepage: https://simtk.org/projects/rnatoolbox Vcs Debichem Team
1113261	macromoleculebuilder: FTBFS with CMake 4	experimental, forky, ftbfs, sid
1114196	macromoleculebuilder FTBFS with Gemmi 0.7	experimental, forky, ftbfs, sid
openstructure (3) Homepage: https://www.openstructure.org Vcs Debichem Team
976491	openstructure: FTBFS on arm64: E: Build killed with signal TERM after 150 minutes of inactivity	bookworm, bullseye, forky, ftbfs, sid, trixie
983946	openstructure: ftbfs with -march=x86-64-v3
1085755	openstructure: Python SyntaxWarning
promod3 (2) Homepage: https://openstructure.org/promod3/ Vcs Debichem Team
1042858	promod3: unable to install on arm64
1085794	promod3: Python SyntaxWarning
pymol (3) Homepage: https://www.pymol.org Vcs Debichem Team
709306	pymol: Crashes when running within xrdp/vnc (no 3D support)
765794	Race condition when running scripts in "stdin" mode
783653	pymol: Segmentation fault immediately after loading pdb

Open bugs in suggested packages

Done bugs

openstructure (1) Homepage: https://www.openstructure.org Vcs Debichem Team
1110617	openstructure ftbfs with boost 1.88	fixed-upstream, forky, sid
promod3 (1) Homepage: https://openstructure.org/promod3/ Vcs Debichem Team
1057951	promod3: FTBFS: tests may fail to run in parallel	bookworm, confirmed, ftbfs, sid, trixie

^*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