Summary

Bugs of task periodic-abinitio

Total bugs: 18

Open bugs: 15

Fixed bugs: 3

Links to other tasks

Tasks overview

Analytical biochemistry 9 (123)

Cheminformatics 17 (132)

Crystallography 9 (123)

C/c++/fortran development 39 (441)

Input preparation and output processing 8 (105)

Molecular ab initio calculations 29 (408)

Molecular dynamics 12 (192)

Molecular modelling 13 (174)

Periodic ab initio calculations 15 (186)

Semi empirical calculations 6 (99)

Chemical formula/structure editors 10 (93)

3d visualization 22 (276)

Legend

Severity	Dependent	Suggested
critical	0	0
grave	0	0
serious	3	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 (186)^*

Open bugs in dependent packages

3 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	trixie, sid
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	trixie, sid, ftbfs, unreproducible, moreinfo
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?
wannier90 (1) Homepage: https://www.wannier.org Vcs Debian Science Maintainers
1074524	wannier90: autopkgtest failure with Python 3.12

Open bugs in suggested packages

Done bugs

gpaw (1) Homepage: https://wiki.fysik.dtu.dk/gpaw/ Vcs Debichem Team
1078912	gpaw: annotate test dependencies <!nocheck>	patch
openmx (2) Homepage: http://www.openmx-square.org/ Vcs Debian Science Team
957639	openmx: ftbfs with GCC-10	sid, bookworm, ftbfs, trixie, bullseye
1079187	openmx: Build fixes	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