Nearly there...

I realised this morning that Sire is very nearly there - by which I mean that the code is nearly at the point where it can be released. I (and others) have been using Sire for production calculations for a few months now, and the core APIs have been stable for over a year. Even the binary save file is pretty stable, and the code can do nearly everything that ProtoMS can do (and more). Before release I have a few jobs - the first is to write the amber forcefield readers, so that parameterising molecules and setting up simulations is easier. Then, I need to write the documentation, and provide examples (thanks Julien for your suggestions of things that are needed). Finally, I need to build some binaries and work out how best to distribute the code, particularly as compilation and installation is pretty painful (cmake makes installing the core straightforward, but sorting out all of the dependencies etc., and building the python wrappers is annoying).