Summary

Bugs of task molecular-modelling

Total bugs: 18

Open bugs: 16

Fixed bugs: 2

Links to other tasks

Tasks overview

Analytical biochemistry 9 (118)

Cheminformatics 18 (159)

Crystallography 7 (63)

C/c++/fortran development 35 (330)

Input preparation and output processing 10 (135)

Molecular ab initio calculations 24 (243)

Molecular dynamics 10 (147)

Molecular modelling 16 (219)

Periodic ab initio calculations 14 (192)

Semi empirical calculations 5 (69)

Chemical formula/structure editors 8 (48)

3d visualization 20 (216)

Legend

Severity	Dependent	Suggested
critical	0	0
grave	0	0
serious	2	0
important	8	0
normal	4	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 (219)^*

Open bugs in dependent packages

2 serious, 8 important, 4 normal, 1 minor, 1 wishlist

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 (4) Homepage: http://bioinformatics.org/ghemical/ghemical/ Vcs Debichem Team
967392	ghemical: depends on deprecated GTK 2
967865	ghemical: depends on deprecated libglade2
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
macromoleculebuilder (1) Homepage: https://simtk.org/projects/rnatoolbox Vcs Debichem Team
1068925	macromoleculebuilder: FTBFS on armhf (error: inconsistent deduction for auto return type: 'long int' and then 'long long int')	ftbfs
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
1061601	openstructure: FTBFS with Python 3.12 as default	ftbfs, patch
1065341	src:openstructure: unsatisfied build dependency in testing: sip-dev	experimental, sid, trixie
promod3 (1) Homepage: https://openstructure.org/promod3/ Vcs Debichem Team
1042858	promod3: unable to install on arm64
pymol (4) Homepage: https://www.pymol.org Vcs Debichem Team
602610	Package freemol.mengine for full modeling capabilities
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
1060745	openstructure: Please remove sip-dev from Build-Depends
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