Hi, On Mon, Jan 23, 2017 at 11:31:34AM +0100, Petter Reinholdtsen wrote: > According to 'apt-cache rdepends ghemical', it is part of several > metapackages, among them education-chemistry. I do not know anything > more about it.
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. Michael
