Re: [AMBER-Developers] significant changes in the QM/MM part of sander

From: case <case.biomaps.rutgers.edu>
Date: Wed, 5 Aug 2009 00:00:34 +0100

On Mon, Aug 03, 2009, Scott Brozell wrote:

>
> Since amber tools now requires a fortran compiler, why not
> merge configure_amber and configure_at back into the single configure ?
> One reason to merge is that amber cannot be built with pgf90 since
> the lib makefile now includes config.h:

We are working toward a common configure file, but are not there. I've
checked in dual Makefiles into amber11/src/lib. This should fix the the
problem listed above.

I personally like configure_at better than configure_amber; on that basis, it
would be nice to add "pgcc" (and hence pgf90) as a option to configure_at.
But others might have different ideas, since configure_amber has lots of hacks
in it that might still be needed on various machines....

...dac


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Received on Wed Aug 19 2009 - 20:29:00 PDT
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