[gmx-users] Major code reorganization in git coming up

[Erik Lindahl]

Hi!

We figured we'd celebrate the upcoming new year with some major changes in the git development branch, consisting primarily of C++ support and a more modular organization of files.
This is a gradual process, so this mail is a bit of a warning-message that the master/development branch might have some issues with compilers/build environments the next couple of weeks.

If you occasionally use a git build to run production simulation, just use the release-4-5-patches branch instead, and everything should be fine.

However, If you are working on your own code based on the git master branch, it might be a good idea to either switch to the release-4-5-patches branch, or create your own branch that you no longer sync with master as frequently. In the latter case you might have to go through some pain to port your code back to the new file organization later (sorry about that).

The upside of all this is that the file organization will gradually get easier to understand, and the code itself should also get much more modular and readable (which we hope will lead to a faster release schedule and more features :-)



Happy new year!


Erik



--
Erik Lindahl <erik at kth.se>
Professor of Theoretical & Computational Biophysics
Department of Theoretical Physics & Swedish e-Science Research Center
Royal Institute of Technology, Stockholm, Sweden
Tel: +46855378029 Cell: +46703844534