Summary

Bugs of task periodic-abinitio

Total bugs: 20

Open bugs: 14

Fixed bugs: 6

Links to other tasks

Tasks overview

Analytical biochemistry 9 (126)

Cheminformatics 19 (198)

Crystallography 9 (108)

C/c++/fortran development 40 (465)

Input preparation and output processing 11 (138)

Molecular ab initio calculations 25 (324)

Molecular dynamics 17 (249)

Molecular modelling 17 (237)

Periodic ab initio calculations 14 (156)

Semi empirical calculations 6 (99)

Chemical formula/structure editors 11 (102)

3d visualization 23 (285)

Legend

Severity	Dependent	Suggested
critical	0	0
grave	0	0
serious	2	0
important	4	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 (156)^*

Open bugs in dependent packages

2 serious, 4 important, 3 normal, 3 minor, 2 wishlist

abinit (4) Homepage: http://www.abinit.org/ Vcs Debichem Team
988798	abinit-doc: broken symlink: /usr/share/doc/abinit/html/index.md -> guide/new_user.md
1015347	abinit: ftbfs with LTO (link time optimization) enabled	sid, trixie
1073088	abinit: build-depends on markdown
1076027	abinit: FTBFS with mpich as default MPI implementation on 32 bit architectures: Error: Type mismatch in argument âblock_displâ at (1); passed INTEGER(8) to INTEGER(4)	ftbfs
cp2k (3) 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
1060949	cp2k: FTBFS: message_passing.F:1035:(.text+0x57edd): undefined reference to `mpi_comm_set_errhandler_'	ftbfs, sid, trixie
espresso (4) 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	ftbfs, sid, trixie
gpaw (1) 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	ftbfs, moreinfo, sid, trixie, unreproducible
nwchem (2) 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?

Open bugs in suggested packages

Done bugs

espresso (1) Homepage: http://www.quantum-espresso.org/ Vcs Debichem Team
1084629	espresso: removal of Python standard libraries in Python 3.13	patch
nwchem (3) Homepage: https://nwchemgit.github.io Vcs Debichem Team
1085007	nwchem, build-depends unsatisfiable on 32-bit architectures.
1085249	src:nwchem: fails to migrate to testing for too long	sid, trixie
1085264	nwchem: /usr/bin/nwchem linked to nwchem.openmpi (breaks 32-bit arches)
wannier90 (2) Homepage: https://www.wannier.org Vcs Debian Science Maintainers
1074524	wannier90: autopkgtest failure with Python 3.12
1084579	wannier90: 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