Summary

Bugs of task periodic-abinitio

Total bugs: 16

Open bugs: 16

Fixed bugs: 0

Links to other tasks

Tasks overview

Analytical biochemistry 17 (227)

Cheminformatics 19 (177)

Crystallography 9 (168)

C/c++/fortran development 33 (348)

Input preparation and output processing 10 (120)

Molecular ab initio calculations 28 (366)

Molecular dynamics 17 (171)

Molecular modelling 14 (186)

Periodic ab initio calculations 16 (171)

Semi empirical calculations 7 (84)

Chemical formula/structure editors 12 (174)

3d visualization 14 (156)

Legend

Severity	Dependent	Suggested
critical	0	0
grave	0	0
serious	1	0
important	7	0
normal	3	0
minor	3	0
wishlist	2	0

Summary bugs page of task Periodic ab initio calculations

Immediately looking into bugs of the dependencies of this task is advised (171)^*

Open bugs in dependent packages

1 serious, 7 important, 3 normal, 3 minor, 2 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	forky, sid, trixie
1130069	cp2k FTBFS on s390x	ftbfs
espresso (5) Homepage: http://www.quantum-espresso.org/ Vcs Debichem Team
772361	quantum-espresso-data: bashism in /bin/sh script
818432	espresso: FTBFS on armel: hangs during the build	ftbfs
861820	quantum-espresso-data: documentation is missing
1044341	espresso: Fails to build source after successful build	forky, ftbfs, sid, trixie
1133467	espresso: ftbfs with GCC-16	forky, ftbfs, sid
gpaw (2) Homepage: https://wiki.fysik.dtu.dk/gpaw/ Vcs Debichem Team
1069447	gpaw: FTBFS on armhf: dh_auto_test: error: pybuild --test --test-pytest -i python{version} -p "3.12 3.11" --test-pytest "--test-args=-v -m ci" returned exit code 13	forky, ftbfs, moreinfo, sid, trixie, unreproducible
1140981	gpaw: FTBFS: E TypeError: object of type 'type' has no len()	forky, ftbfs, sid
nwchem (5) Homepage: https://nwchemgit.github.io Vcs Debichem Team
935993	nwchem: NWChem compiled with long int lapack/blas interface?
935994	nwchem: NWChem compiled with long int lapack/blas interface?
1102731	nwchem-mpich and nwchem-openmpi have an undeclared file conflict on /usr/bin/nwchem
1124884	nwchem: please build using the default build flags
1131374	nwchem: execution reports an ompi related error to the CLI

Open bugs in suggested packages

Done bugs

^*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