Summary

Bugs of task semiempirical

Total bugs: 8

Open bugs: 7

Fixed bugs: 1

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	2	0
important	3	0
normal	1	0
minor	0	0
wishlist	1	0

Summary bugs page of task Semi empirical calculations

Immediately looking into bugs of the dependencies of this task is advised (114)^*

Open bugs in dependent packages

2 serious, 3 important, 1 normal, 1 wishlist

cp2k (4) Homepage: http://www.cp2k.org Vcs Debichem Team
948909	cp2k: test failure on armhf and i386 with libint2
1021057	cp2k autopkgtest times outs on armel
1087987	cp2k: build-depends on libelpa-dev which is no longer available on 32-bit architectures	sid, trixie
1089785	cp2k: uninstallable since transition to openmpi version 5
molds (1) Homepage: https://osdn.net/projects/molds/ Vcs Debichem Team
851042	molds: FTBFS: liblapacke.so: undefined reference to `sgemqr_'	ftbfs, wontfix
mopac7 (1) Homepage: http://sourceforge.net/projects/mopac7 Vcs Debichem Team
580828	libmopac7-1gf: Segmentation fault in lm7_ini_full_xyz()
xtb (1) Homepage: https://github.com/grimme-lab/xtb Vcs Debichem Team
1091310	xtb: FTBFS on armhf: dh_auto_test: error: cd obj-arm-linux-gnueabihf && DEB_PYTHON_INSTALL_LAYOUT=deb LC_ALL=C.UTF-8 MESON_TESTTHREADS=4 meson test returned exit code 1	ftbfs, sid, trixie

Open bugs in suggested packages

Done bugs

cp2k (1) Homepage: http://www.cp2k.org Vcs Debichem Team
1060949	cp2k: FTBFS: message_passing.F:1035:(.text+0x57edd): undefined reference to `mpi_comm_set_errhandler_'	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