Debian Science Project
Summary
Bugs of task chemistry
Total bugs: 103
Open bugs: 100
Fixed bugs: 3
Links to other tasks
Tasks overview
Biology 10 (142)
Chemistry 100 (1053)
Data acquisition 56 (240)
Data management 57 (456)
Devices 17 (174)
Economics 28 (154)
Engineering 89 (953)
Engineering-dev 78 (792)
Geography 97 (710)
Geometry 4 (21)
Linguistics 93 (419)
Logic 39 (306)
Machine learning 40 (313)
Mathematics 255 (2227)
Mathematics-dev 195 (1805)
Meteorology 95 (625)
Meteorology-dev 196 (806)
Nanoscale physics 337 (2724)
Physics 82 (840)
Physics-dev 38 (374)
Presentation 80 (666)
Psychophysics 10 (109)
Robotics 108 (459)
Robotics-dev 36 (378)
Simulations 59 (751)
Social 0 (0)
Statistics 53 (328)
Tools 14 (94)
Typesetting 268 (1767)
Viewing 309 (1933)
Viewing-dev 70 (693)
Workflow 29 (224)
Legend
SeverityDependentSuggested
critical 0 0
grave 0 0
serious 10 3
important 17 0
normal 48 3
minor 9 0
wishlist 10 0

Summary bugs page of task Chemistry

Immediately looking into bugs of the dependencies of this task is advised (1053)*

Open bugs in dependent packages

10 serious, 17 important, 48 normal, 9 minor, 10 wishlist
apbs (1) Homepage: http://www.poissonboltzmann.org/ Vcs Debichem Team
1034627 apbs: compile with PBAM and PBSAM support
bkchem (3) Homepage: https://bkchem.zirael.org Vcs Debichem Team
1003405 consider devendoring pmw module
1080552 Missing Build-Depends on python3-setuptools sid, trixie
1085364 bkchem: Python SyntaxWarning
cdk (1) Homepage: https://cdk.github.io/ Vcs Debian Java Maintainers
1081606 cdk: run upstream tests during build help
chemical-mime-data (2) Homepage: https://github.com/dleidert/chemical-mime Vcs Debichem Team
420795 chemical-mime-data: Unknown media type in type 'chemical/x-*' fixed-upstream, wontfix
684017 chemical-mime-data: unowned files after purge: /usr/share/mime/chemical/x-*.xml
chemtool (1) Homepage: http://ruby.chemie.uni-freiburg.de/~martin/chemtool/ Vcs Debichem Team
967291 chemtool: depends on deprecated GTK 2
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
1060949 cp2k: FTBFS: message_passing.F:1035:(.text+0x57edd): undefined reference to `mpi_comm_set_errhandler_' ftbfs, sid, trixie
easychem (5) Homepage: http://easychem.sourceforge.net Vcs Debichem Team
705980 easychem application hangs on File -> Export moreinfo, unreproducible
786826 easychem: [INTL:nl] Dutch po file for the easychem package l10n, patch
798682 unknown deveice - epswrite patch
798684 unknown deveice - epswrite patch
967322 easychem: depends on deprecated GTK 2
feff85exafs (2) Homepage: https://github.com/xraypy/feff85exafs Vcs Debian Science Maintainers
1044195 feff85exafs: Fails to build source after successful build ftbfs, sid, trixie
1083389 feff85exafs: (build-)depends on deprecated module python3-pkg-resources sid, trixie
gabedit (2) Homepage: https://sites.google.com/site/allouchear/Home/gabedit Vcs Debichem Team
967359 gabedit: depends on deprecated GTK 2
1066984 gabedit: FTBFS: Preferences.c:2254:23: error: implicit declaration of function ‘selectionOfDir’; did you mean ‘selctionOfDir’? [-Werror=implicit-function-declaration] ftbfs, sid, trixie
galculator (6) Homepage: http://galculator.mnim.org/ Vcs Dmitry Smirnov
210696 galculator: If more than one +-*/ key is pressed after a number the last selected should override the previous upstream
671129 galculator: More difficulties entering shift operations upstream
737384 Should use GTK+2 useful for LXDE and Xfce users patch, wontfix
790900 many GLib-GObject-WARNINGs
814616 Galculator — Negative Numbers Divide by Any Number equals an addition
922913 galculator: % does not work in any way
gamgi (3) Homepage: http://www.gamgi.org/ Vcs Debichem Team
750139 gamgi: Conflicting return types of function gamgi_engine_iarray_push upstream
967366 gamgi: depends on deprecated GTK 2
1044244 gamgi: Fails to build source after successful build ftbfs, sid, trixie
garlic (2) Homepage: http://www.zucic.org/garlic/ Vcs Debichem Team
715937 [Mayhem] Bug report on garlic: garlic crashes with exit status 139
749656 garlic: Conflicting declarations of function BlurMainWindow_ to cause undefined behaviour
gausssum (2) Homepage: http://gausssum.sourceforge.net Vcs Debichem Team
1035144 gausssum: please add autopkgtests (to add coverage for python3-numpy)
1036517 gausssum: please add autopkgtests (to add coverage for python3-matplotlib)
gdis (2) Homepage: http://gdis.sourceforge.net Vcs Debichem Team
967377 gdis: depends on deprecated GTK 2
1066985 gdis: FTBFS: crystal_graph.c:180:3: error: implicit declaration of function ‘type_dreiding_gasteiger’ [-Werror=implicit-function-declaration] ftbfs, sid, trixie
gdpc (2) Homepage: https://web.archive.org/web/20180212152753/http://www.frantz.fi/software/gdpc.php Vcs Debian Med Packaging Team
967379 gdpc: depends on deprecated GTK 2 wontfix
982103 gdpc: autopkgtest failure on s390x
gelemental (1) Homepage: https://github.com/ginggs/gelemental Vcs Debichem Team
967382 gelemental: depends on deprecated GTK 2
ghemical (4) Homepage: http://bioinformatics.org/ghemical/ghemical/ Vcs Debichem Team
967392 ghemical: depends on deprecated GTK 2
967865 ghemical: depends on deprecated libglade2
996006 ghemical: Segmentation fault when starting
1066986 ghemical: FTBFS: /usr/bin/ld: /usr/lib/gcc/x86_64-linux-gnu/13/../../../x86_64-linux-gnu/libghemical.so: undefined reference to `sc::RenderedBallMolecule::RenderedBallMolecule(sc::Ref<sc::KeyVal> const&)' ftbfs, sid, trixie
gnome-chemistry-utils (2) Homepage: http://www.nongnu.org/gchemutils/ Vcs Debichem Team
932425 gchempaint: Dashed bonds in CDX files inverted
1078386 gnome-chemistry-utils: FTBFS: gunicode.h:809:34: error: invalid conversion from 'const char*' to 'char*' [-fpermissive] ftbfs, sid, trixie
gperiodic (1) Homepage: https://sourceforge.net/projects/gperiodic/ Vcs Debichem Team
967449 gperiodic: depends on deprecated GTK 2
gromacs (2) Homepage: https://www.gromacs.org/ Vcs Debichem Team
644397 Provide runtime detection for CPU SIMD capabilities upstream
983942 gromacs: ftbfs with -march=x86-64-v3
jmol (1) Homepage: https://jmol.sourceforge.net/ Vcs Debichem Team
872418 jmol: Weblinks in Help do not work
mopac7 (1) Homepage: http://sourceforge.net/projects/mopac7 Vcs Debichem Team
580828 libmopac7-1gf: Segmentation fault in lm7_ini_full_xyz()
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
openbabel (8) Homepage: https://openbabel.org Vcs Debichem Team
588248 Provide library for static linkage (libopenbabel.a)
716203 [Mayhem] Bug report on openbabel: obminimize crashes with exit status 139
716567 [Mayhem] Bug report on openbabel: obprobe crashes with exit status 139
823890 python-openbabel: doc-base error: openbabel and pybel already define html format
850546 openbabel-gui: Please add a desktop file for obgui
1046720 openbabel: Fails to build source after successful build ftbfs, sid, trixie
1059277 openbabel: CVE-2022-37331 CVE-2022-41793 CVE-2022-42885 CVE-2022-43467 CVE-2022-43607 CVE-2022-44451 CVE-2022-46280 CVE-2022-46289 CVE-2022-46290 CVE-2022-46291 CVE-2022-46292 CVE-2022-46293 CVE-2022-46294 CVE-2022-46295 security, upstream
1073561 openbabel: FTBFS: failing tests test_tautomer_2[27] ftbfs, sid, trixie, unreproducible
openfoam (8) Homepage: https://openfoam.com Vcs Debian Science Maintainers
845267 libopenfoam: libscotchDecomp.so.0.1.0 is GPL-licensed but links with GPL-incompatible library
850065 openfoam: Build runs way more parallel processes than specified by DEB_BUILD_OPTIONS
917985 openfoam: Openfoam should not build (nor skip) dummy libraries
918112 openfoam should not massively pollute /usr/{bin,lib} namespaces
919711 openfoam: autopkgtest regression
920585 openfoam build doesn't respect -j <n>
973574 package openfoam does not contain foamEtcFile
1075972 openfoam: Unnecessary build dependency on libcgal-dev
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
pyfai (3) Homepage: https://github.com/silx-kit/pyFAI Vcs Debian PaN Maintainers
1077400 pyfai: FTBFS: src/pyFAI/ext/sparse_utils.cpython-312-x86_64-linux-gnu.so.p/src/pyFAI/ext/sparse_utils.pyx.c:45695:17: error: assignment to ‘struct __pyx_obj_5pyFAI_3ext_12sparse_utils_Vector *’ from incompatible pointer type ‘PyObject *’ {aka ‘struct _object *’} [-Wincompatible-pointer-types] ftbfs, sid, trixie
1078268 pyfai: please make the package build reproducible
1085805 pyfai: Python SyntaxWarning
pymol (5) Homepage: https://www.pymol.org Vcs Debichem Team
709306 pymol: Crashes when running within xrdp/vnc (no 3D support)
765794 Race condition when running scripts in "stdin" mode
783653 pymol: Segmentation fault immediately after loading pdb
1080880 Missing Build-Depends on python3-setuptools sid, trixie
1084571 pymol: removal of Python standard libraries in Python 3.13
python-pymzml (2) Homepage: https://github.com/pymzml/pymzML Vcs The Debichem Group
1035209 python-pymzml: please add autopkgtests (to add coverage for python3-numpy)
1086925 python-pymzml: Python SyntaxWarning
qutemol (2) Homepage: http://qutemol.sourceforge.net/ Vcs Debichem Team
642084 qutemol: Cannot start the program
939033 qutemol: Uses GifQuantizeBuffer - stops working with newer giflib
v-sim (1) Homepage: http://inac.cea.fr/L_Sim/V_Sim/index.en.html Vcs Debian Science Team
1075614 v-sim: ftbfs with GCC-14 ftbfs, sid, trixie
xbs (2) Homepage: Not maintained in Vcs Matthew Vernon
716487 [Mayhem] Bug report on xbs: xbs crashes with exit status 139
1007400 xbs: please consider upgrading to 3.0 source format sid, trixie
xmakemol (1) Homepage: http://www.nongnu.org/xmakemol/ Vcs Debichem Team
1075670 xmakemol: ftbfs with GCC-14 ftbfs, sid, trixie

Open bugs in suggested packages

3 serious, 3 normal
amp (6) Homepage: https://bitbucket.org/andrewpeterson/amp Vcs Debian Science Maintainers
1018305 amp: build-depends on python3-nose or uses it for autopkgtest sid, trixie
1035169 amp: please add autopkgtests (to add coverage for python3-numpy)
1036502 amp: please add autopkgtests (to add coverage for python3-matplotlib)
1067375 amp: FTBFS: FileNotFoundError: [Errno 2] No such file or directory: 'meson' ftbfs, sid, trixie
1085323 amp: Python SyntaxWarning
1086577 amp FTBFS with python >= 3.12: No module named 'numpy.distutils' ftbfs, sid, trixie

Done bugs

apbs (2) Homepage: http://www.poissonboltzmann.org/ Vcs Debichem Team
1033528 apbs: autopkgtest regression: apbs_tester.py': [Errno 2] No such file or directory bookworm, bookworm-ignore, patch, sid, trixie
1077646 apbs: ftbfs with GCC-14 ftbfs
gromacs (1) Homepage: https://www.gromacs.org/ Vcs Debichem Team
1086272 gromacs: FTBFS with OpenMPI 5 on systems with less than 4 CPUs ftbfs
*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: Wed, 13 Nov 2024 18:19:33 -0000