Summary

Bugs of task molecular-modelling

Total bugs: 19

Open bugs: 14

Fixed bugs: 5

Links to other tasks

Tasks overview

Analytical biochemistry 17 (227)

Cheminformatics 21 (192)

Crystallography 9 (168)

C/c++/fortran development 32 (312)

Input preparation and output processing 11 (105)

Molecular ab initio calculations 31 (429)

Molecular dynamics 17 (171)

Molecular modelling 14 (168)

Periodic ab initio calculations 20 (222)

Semi empirical calculations 7 (84)

Chemical formula/structure editors 11 (165)

3d visualization 15 (156)

Legend

Severity	Dependent	Suggested
critical	0	0
grave	0	0
serious	1	0
important	6	0
normal	5	0
minor	1	0
wishlist	1	0

Summary bugs page of task Molecular modelling

Immediately looking into bugs of the dependencies of this task is advised (168)^*

Open bugs in dependent packages

1 serious, 6 important, 5 normal, 1 minor, 1 wishlist

avogadro (2) Homepage: https://avogadro.cc/ Vcs Debichem Team
1127605	avogadro: corrupted display on gnome wayland
1132483	avogadro: the avogadro project released version 2.0.0
macromoleculebuilder (1) Homepage: https://simtk.org/projects/rnatoolbox Vcs Debichem Team
1133542	macromoleculebuilder: ftbfs with GCC-16	forky, ftbfs, sid
openstructure (4) 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
1129279	openstructure: FTBFS with Python 3.14: tests segfault	confirmed, forky, ftbfs, sid
promod3 (3) Homepage: https://openstructure.org/promod3/ Vcs Debichem Team
1042858	promod3: unable to install on arm64
1085794	promod3: Python SyntaxWarning
1136318	promod3: FTBFS with libeigen3-dev 5.0 (major version transition)	forky, ftbfs, sid
pymol (4) 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
1137219	pymol: flaky autopkgtest: Segmentation fault

Open bugs in suggested packages

Done bugs

ball (3) Homepage: http://www.ball-project.org/ Vcs Debian Med Packaging Team
1120734	ball should build depend on libqt5opengl5-desktop-dev instead of libqt5opengl5-dev	ftbfs
1129810	ball: FTBFS with boost 1.90	forky, ftbfs, sid
1133814	libball1.5-dev fails to coinstall
openstructure (1) Homepage: https://www.openstructure.org Vcs Debichem Team
1136313	openstructure: FTBFS with numpy 2	forky, ftbfs, 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