[gmx-developers] Future developments

David van der Spoel spoel at xray.bmc.uu.se
Tue Feb 24 13:35:26 CET 2009


yesterday I put a question on the developer list on where to put a new 
mini-library for statistics. Right now it is used only from the analysis 
tools but it might also be used from other parts of the code. Hence I 
suggested placement in gmxlib, or even directly in src. If no one object 
I will do this later today.

More in general, we should decide on the future structure of the source 
tree, do we want a src directory with dozens of subdirectories, or 
should it be hierarchical. Do we move to one library or do we keep four 
different ones?

We should also document code recommendations. For instance, Berk stated 
in another mail recently that we moved to the 4 space indentation etc. 
We should put this information on the wiki, for everyone (including me) 
to read.

Finally, if we are going to allow C++ code, then we should link 
everything with a C++ compiler, and the configure.ac should be adapted. 
We probably need to adapt header files as well (at least if they are 
used from C++).

David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se

More information about the gromacs.org_gmx-developers mailing list