Probably? I don’t know enough about NSIS installers because I don’t use Windows.
Yes. At the moment, it’s used for crystal structures / band diagrams / DOS plots. There are a few molecular-related feature tickets:
The trick with integrating xtb (the command-line program) with the optimizer is latency. The idea with the New Force Field Framework 🎉 is that you set up the molecule, then calculate energies / gradients as needed.
In principal, you could repeatedly call xtb --grad but it’s definitely faster through xtb-python since the SCF is fast to re-compute for small differences in geometry.
I think the first step would be to consider what “full integration” means… what features, for example.