Summary

Bugs of task development

Total bugs: 39

Open bugs: 33

Fixed bugs: 6

Links to other tasks

Tasks overview

Analytical biochemistry 9 (118)

Cheminformatics 18 (159)

Crystallography 7 (63)

C/c++/fortran development 33 (270)

Input preparation and output processing 10 (135)

Molecular ab initio calculations 24 (243)

Molecular dynamics 10 (147)

Molecular modelling 16 (219)

Periodic ab initio calculations 12 (132)

Semi empirical calculations 5 (69)

Chemical formula/structure editors 8 (48)

3d visualization 20 (216)

Legend

Severity	Dependent	Suggested
critical	0	0
grave	0	0
serious	1	0
important	3	0
normal	20	0
minor	5	0
wishlist	4	0

Summary bugs page of task C/c++/fortran development

Immediately looking into bugs of the dependencies of this task is advised (270)^*

Open bugs in dependent packages

1 serious, 3 important, 20 normal, 5 minor, 4 wishlist

elpa (1) Homepage: http://elpa.mpcdf.mpg.de/ Vcs Debichem Team
1057556	elpa: FTBFS unless machine has more than one vcore	bookworm, ftbfs, patch, sid, trixie
fftw3 (6) Homepage: https://fftw.org Vcs Debian Science Maintainers
942359	Please provide libfftw3-long3 on all platforms
948086	package fftw3 does not install cmake config files
1044274	fftw3: Fails to build source after successful build	ftbfs, sid, trixie
1050691	fftw3: Please add loong64 architecture support to libfftw (libfftw3-long3).
1052201	fftw3: baseline violation: Unconditionally enabled NEON for armhf
1054906	fftw3: Please enable avx2	patch
galib (1) Homepage: http://lancet.mit.edu/ga/ Vcs Debian QA Group
544693	libga-dev: inclusion of GA headers interferes with unrelated code
lapack (2) Homepage: https://www.netlib.org/lapack/ Vcs Debian Science Team
354463	Undefined symbols/changed size between lapack and blas
694625	libblas3gf: DGEMV does not handle properly N=0
libint (1) Homepage: http://sourceforge.net/p/libint/home/ Vcs Debichem Team
1037309	libint: reproducible-builds: build date in PDF file	patch
libint2 (3) Homepage: https://github.com/evaleev/libint Vcs Debichem Team
852077	[src:libint2] What about packaging basisset definition files?	patch
983943	libint2: ftbfs with -march=x86-64-v3
1046821	libint2: Fails to build source after successful build	ftbfs, sid, trixie
libxc (2) Homepage: http://www.tddft.org/programs/octopus/wiki/index.php/Libxc Vcs Debichem Team
1035858	libxc9: broken symlink: /usr/share/doc/libxc9/README -> README.md
1047002	libxc: Fails to build source after successful build	ftbfs, sid, trixie
mpi-defaults (2) Homepage: Vcs Debian Science Team
575259	mpi-default-dev doesn't ensure that the right implementation is used	patch
895822	Should we switch the standard default MPI to MPICH?
mpqc (4) Homepage: http://www.mpqc.org Vcs Debichem Team
193616	mpqc has many missing libs in the linkages	upstream
725486	mpqc: Aborts with SIGABRT if executed without further arguments
903733	mpqc: Unescaped left brace in regex is deprecated
1049570	mpqc: Fails to build binary packages again after successful build	ftbfs, sid, trixie
openmm (2) Homepage: https://simtk.org/projects/openmm Vcs Debichem Team
1061814	openmm fails its autopkg tests with Python 3.12	ftbfs, patch, sid, trixie
1065911	openmm: Please drop dependencies on python3-distutils
psicode (6) Homepage: http://www.psicode.org/ Vcs Debichem Team
641474	psi3 fails using basis sets cc-pVNZ with N > 5	confirmed, moreinfo, wontfix
715813	[Mayhem] Bug report on psi3: detcasman crashes with exit status 139
716153	[Mayhem] Bug report on psi3: psiclean crashes with exit status 139
716216	[Mayhem] Bug report on psi3: nonbonded crashes with exit status 139
716393	[Mayhem] Bug report on psi3: tocprint crashes with exit status 139
716535	[Mayhem] Bug report on psi3: oeprop crashes with exit status 139
scalapack (1) Homepage: https://www.netlib.org/scalapack/ Vcs Debian Science Maintainers
1068322	scalapack: Please change the Build-dep on libopenmpi-dev to 64-bit systems only
spglib (1) Homepage: https://spglib.github.io/spglib/ Vcs Debian Science Maintainers
1061357	python3-spglib: spglib python package not identified by dh_python3
tiledarray (1) Homepage: https://github.com/ValeevGroup/tiledarray Vcs Debichem Team
1050355	tiledarray has unfulfilled build dependencies	sid, trixie

Open bugs in suggested packages

Done bugs

libint2 (1) Homepage: https://github.com/evaleev/libint Vcs Debichem Team
1062379	libint2: NMU diff for 64-bit time_t transition	patch, sid, trixie
molmodel (1) Homepage: https://simtk.org/projects/molmodel Vcs Debichem Team
1062945	molmodel: NMU diff for 64-bit time_t transition	patch, sid, trixie
openmm (1) Homepage: https://simtk.org/projects/openmm Vcs Debichem Team
1063095	openmm: NMU diff for 64-bit time_t transition	patch, sid, trixie
scalapack (3) Homepage: https://www.netlib.org/scalapack/ Vcs Debian Science Maintainers
961186	scalapack: provide a 64-bit build
1051986	scalapack: cmake files miss multiarch, referencing missing file
1066328	scalapack: FTBFS: igsum2d_.c:154:7: error: implicit declaration of function âBI_imvcopyâ; did you mean âBI_zmvcopyâ? [-Werror=implicit-function-declaration]	ftbfs, 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