Some background: The ghemical tool in Debian have a RC bug and might be missing in Stretch (See bug #826069). It is listed in a Debian Edu metapackage (education-chemistry). Michael wonder if perhaps we should use a replacement:
[Michael Banck] > Unless there is a "no Qt" policy, I strongly advise to replace ghemical > with avogadro. Hrm Kalzium depends on libavogadro anyway, but I think > there is some non-overlapping functionality between the two. > > Ghemical has been unmaintained upstream for many years, and the only > thing it has going for it is direct quantum chemistry computations via > libsc (from mpqc); however, those are really very simple. > > Avogadro has a much better GUI and support for geometry optimizations > via force fields as well; and can read/write output/input of severl > quantum chemistry packages in Debian; you'd have to run the computation > yourself, though. > > Also, bkchem might be a better choice than chemtool at this point, > although none of the 2d drawing packages is really heavily maintained > right now. Anyone know? I do not know the tool myself, so I do not know if we really want it included or can use a replacement. :) -- Happy hacking Petter Reinholdtsen
