Summary

Bugs of task periodic-abinitio

Total bugs: 22

Open bugs: 19

Fixed bugs: 3

Links to other tasks

Tasks overview

Analytical biochemistry 24 (364)

Cheminformatics 21 (195)

Crystallography 9 (168)

C/c++/fortran development 30 (291)

Input preparation and output processing 11 (174)

Molecular ab initio calculations 26 (351)

Molecular dynamics 20 (267)

Molecular modelling 14 (222)

Periodic ab initio calculations 19 (234)

Semi empirical calculations 5 (54)

Chemical formula/structure editors 11 (123)

3d visualization 23 (303)

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 (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
1087987	cp2k: build-depends on libelpa-dev which is no longer available on 32-bit architectures	forky, 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	forky, ftbfs, sid, trixie
gpaw (3) 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
1089787	gpaw: uninstallable since transition to openmpi version 5
1117752	gpaw: FTBFS: FAILED gpaw/test/test_aeatom.py::test_aeatom - FloatingPointError: invalid va...	forky, ftbfs, 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
1119963	nwchem: water_pme QA test fails: Illegal input to pfft3d

Open bugs in suggested packages

Done bugs

espresso (1) Homepage: http://www.quantum-espresso.org/ Vcs Debichem Team
1096588	espresso: ftbfs with GCC-15	forky, ftbfs, patch, sid
nwchem (2) Homepage: https://nwchemgit.github.io Vcs Debichem Team
1097484	nwchem: ftbfs with GCC-15	fixed-upstream, forky, ftbfs, sid
1111575	nwchem: tests/pspw_md/pspw_md fails in autopkgtest on arm64 with glibc/2.42-0ubuntu1+

^*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