Hi,

I tried to compile and install the double-precision version of gromacs (gromacs is in portage under sci-chemistry/gromacs).

This is done by adding "--disable-float" to the configure line when compiling manually.

binx root # equery uses gromacs
[ Found these USE variables for sci-chemistry/gromacs-3.2.1 ]
 U I
 - - mpi  : Adds MPI (Message Passing Interface) layer to the apps ...
 + + xml2 : Check/Support flag for XML library (version 2)


Gentoo does not provide a local use variable for that so I couldn't see how to compile it supporting double precision with emerge.


Can somebody advice me what the best solution to this might be? Should we introduce a new local USE variable? If so, how? Any other options?

Thanks,

Hans


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