DebiChem Project
Summary
Bugs of task molecular-abinitio
Total bugs: 26
Open bugs: 26
Fixed bugs: 0
Links to other tasks Legend
SeverityDependentSuggested
critical 0 0
grave 0 0
serious 6 0
important 7 0
normal 7 0
minor 3 0
wishlist 3 0

Summary bugs page of task Molecular ab initio calculations

Immediately looking into bugs of the dependencies of this task is advised (357)*

Open bugs in dependent packages

6 serious, 7 important, 7 normal, 3 minor, 3 wishlist
1008802 chemps2: FTBFS on armel bookworm, forky, ftbfs, sid, trixie
1017710 chemps2: flaky autopkgtest
1102362 chemps2: riscv64 autopkgtest is flaky
1112775 chemps2: FTBFS with CMake 4 forky, ftbfs, sid
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
1105320 elkcode: FTBFS with make --shuffle=reverse: Fatal Error: Cannot open module file ‘modmain.mod’ for reading at (1): No such file or directory forky, ftbfs, sid, trixie
793234 ergo: change of type in system_error might break with GCC-5 bookworm, bullseye, buster, forky, sid, stretch, trixie
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 forky, ftbfs, sid, trixie
1075293 mpqc: ftbfs with GCC-14 forky, ftbfs, sid, trixie
1077120 mpqc: needs rebuild against dh-elpa >=2.1.5 forky, patch, sid, trixie
1089783 mpqc: uninstallable since transition to openmpi version 5
1110993 mpqc: Update to v4 upstream
935993 nwchem: NWChem compiled with long int lapack/blas interface?
935994 nwchem: NWChem compiled with long int lapack/blas interface?
1097484 nwchem: ftbfs with GCC-15 forky, ftbfs, sid
1102731 nwchem-mpich and nwchem-openmpi have an undeclared file conflict on /usr/bin/nwchem
1111575 nwchem: tests/pspw_md/pspw_md fails in autopkgtest on arm64 with glibc/2.42-0ubuntu1+
872849 psi4: Reconfigure libderiv for higher angular momentum
1085795 psi4: Python SyntaxWarning
1102525 psi4: autopkgtest failure on s390x
1114273 psi4: FTBFS: /<<PKGBUILDDIR>>/psi4/src/psi4/libmints/multipoles.cc:36:1: error: 'uint64_t' does not name a type forky, ftbfs, sid

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:
critical10
grave10
serious10
important5
normal3
minor1
wishlist0
Last update: Sat, 20 Sep 2025 15:58:39 -0000