Summary

Bugs of task development

Total bugs: 43

Open bugs: 40

Fixed bugs: 3

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	6	0
important	6	0
normal	20	0
minor	5	0
wishlist	3	0

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

Immediately looking into bugs of the dependencies of this task is advised (465)^*

Open bugs in dependent packages

6 serious, 6 important, 20 normal, 5 minor, 3 wishlist

btas (2) Homepage: https://github.com/ValeevGroup/btas Vcs Debichem Team
1028634	libbtas-dev requires blaspp	ftbfs, sid, trixie
1050355	tiledarray has unfulfilled build dependencies	ftbfs, sid, trixie
elpa (3) Homepage: http://elpa.mpcdf.mpg.de/ Vcs Debichem Team
1069510	elpa: FTBFS on armhf: make[5]: *** [Makefile:84371: test-suite.log] Error 1	ftbfs, sid, trixie, unreproducible
1076025	elpa: FTBFS with mpich as default MPI implementation on armel and armhf: dpkg-gensymbols: error: some symbols or patterns disappeared in the symbols file: see diff output below	ftbfs, patch, pending
1076026	elpa: FTBFS with mpich as default MPI on i386: FAIL validate_complex_2stage_banded_default.sh (exit status: 15)	ftbfs
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
1052201	fftw3: baseline violation: Unconditionally enabled NEON for armhf
1054906	fftw3: Please enable avx2	patch
1075985	libfftw3-mpi3 might be misbuilt with MPICH as default	ftbfs, sid, trixie
galib (1) Homepage: http://lancet.mit.edu/ga/ Vcs Debian QA Group
544693	libga-dev: inclusion of GA headers interferes with unrelated code
lapack (3) 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
1086680	lapack FTCBFS: unsatisfiable gfortran+python3 dependencies	patch
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 (3) 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
1084870	libxc-dev: Missing Fortran Cmake Package config files
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 (6) 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
1075293	mpqc: ftbfs with GCC-14	ftbfs, sid, trixie
1077120	mpqc: needs rebuild against dh-elpa >=2.1.5	patch, sid, trixie
openmm (2) Homepage: https://simtk.org/projects/openmm Vcs Debichem Team
1080690	Missing Build-Depends on python3-setuptools	sid, trixie
1085752	openmm: Python SyntaxWarning
psicode (7) 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
1075399	psicode: ftbfs with GCC-14	ftbfs, sid, trixie
spglib (1) Homepage: https://spglib.github.io/spglib/ Vcs Debian Science Maintainers
1061357	python3-spglib: spglib python package not identified by dh_python3

Open bugs in suggested packages

Done bugs

elpa (1) Homepage: http://elpa.mpcdf.mpg.de/ Vcs Debichem Team
1057556	elpa: FTBFS unless machine has more than one vcore	bookworm, bullseye, ftbfs, patch, sid, trixie
fftw3 (1) Homepage: https://fftw.org Vcs Debian Science Maintainers
1050691	fftw3: Please add loong64 architecture support to libfftw (libfftw3-long3).
scalapack (1) Homepage: https://www.netlib.org/scalapack/ Vcs Debian Science Maintainers
1051986	scalapack: cmake files miss multiarch, referencing missing file

^*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