Summary

Bugs of task molecular-modelling

Total bugs: 19

Open bugs: 17

Fixed bugs: 2

Links to other tasks

Tasks overview

Analytical biochemistry 12 (153)

Cheminformatics 17 (174)

Crystallography 9 (108)

C/c++/fortran development 43 (561)

Input preparation and output processing 11 (132)

Molecular ab initio calculations 28 (384)

Molecular dynamics 19 (246)

Molecular modelling 17 (252)

Periodic ab initio calculations 18 (246)

Semi empirical calculations 7 (114)

Chemical formula/structure editors 9 (78)

3d visualization 24 (273)

Legend

Severity	Dependent	Suggested
critical	0	0
grave	0	0
serious	3	0
important	7	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 (252)^*

Open bugs in dependent packages

3 serious, 7 important, 6 normal, 1 minor

ball (2) 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
1060741	ball: Please port from sip4 to sip6	help
ghemical (5) Homepage: http://bioinformatics.org/ghemical/ghemical/ Vcs Debichem Team
967392	ghemical: depends on deprecated GTK 2
967865	ghemical: depends on deprecated libglade2	sid, trixie
996006	ghemical: Segmentation fault when starting
1066986	ghemical: FTBFS: /usr/bin/ld: /usr/lib/gcc/x86_64-linux-gnu/13/../../../x86_64-linux-gnu/libghemical.so: undefined reference to `sc::RenderedBallMolecule::RenderedBallMolecule(sc::Ref<sc::KeyVal> const&)'	ftbfs, sid, trixie
1089786	ghemical: uninstallable since transition to openmpi version 5
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, ftbfs, sid, trixie
983946	openstructure: ftbfs with -march=x86-64-v3
1085755	openstructure: Python SyntaxWarning
1092077	openstructure ftbfs with Python 3.13 as the default	ftbfs, sid, trixie, upstream
promod3 (2) Homepage: https://openstructure.org/promod3/ Vcs Debichem Team
1042858	promod3: unable to install on arm64
1085794	promod3: Python SyntaxWarning
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
1080880	Missing Build-Depends on python3-setuptools	sid, trixie

Open bugs in suggested packages

Done bugs

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
pymol (1) Homepage: https://www.pymol.org Vcs Debichem Team
1084571	pymol: removal of Python standard libraries in Python 3.13	patch

^*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