Summary

Bugs of task periodic-abinitio

Total bugs: 19

Open bugs: 19

Fixed bugs: 0

Links to other tasks

Tasks overview

Analytical biochemistry 16 (185)

Cheminformatics 22 (204)

Crystallography 9 (168)

C/c++/fortran development 31 (291)

Input preparation and output processing 8 (81)

Molecular ab initio calculations 26 (336)

Molecular dynamics 16 (168)

Molecular modelling 11 (159)

Periodic ab initio calculations 19 (234)

Semi empirical calculations 6 (69)

Chemical formula/structure editors 11 (165)

3d visualization 18 (222)

Legend

Severity	Dependent	Suggested
critical	0	0
grave	0	0
serious	3	0
important	6	0
normal	5	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 (234)^*

Open bugs in dependent packages

3 serious, 6 important, 5 normal, 3 minor, 2 wishlist

abinit (5) 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	forky, 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
1089281	abinit: Supporting rootless builds	forky, ftbfs, sid, trixie
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
1122398	cp2k: FTBFS: Error: "grid" at (1) has the CONTIGUOUS attribute but is not an array pointer or an assumed-shape or assumed-rank array	forky, ftbfs, sid
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	forky, ftbfs, sid, trixie
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
1122321	gpaw: FTBFS with the nocheck build profile	forky, ftbfs, patch, sid
nwchem (4) 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

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