AMBER Archive (2008)

Subject: Re: AMBER: compilation problem

From: David A. Case (case_at_biomaps.rutgers.edu)
Date: Fri Sep 26 2008 - 11:06:46 CDT

On Thu, Sep 25, 2008, Atro Tossavainen wrote:
>
> It doesn't even try to use the native FORTRAN compilers. I've explicitly
> prevented the environment from seeing g77 and I don't have gfortran, so
> I'm SOL, apparently. I'm not particularly impressed with this. I don't
> think requiring the GNU compilers on these platforms is a good move.

I don't understand why you have prevented the configuration script from
seeing g77.

The problem is not that we like GNU compilers, it is that the (modified)
mopac6 code we use was written a long time ago, and uses constructs that
are not portable to most modern fortran compilers. (Gfortran has some
"g77-compatibility switches" that let you get enough g77-like behavior
to work.)

Our plan is to replace mopac with our code soon, and this will expand
the range of fortran compiles that will work.

Note also that it is only the mopac part of AmberTools that is disabled
now if you don't have g77 or gfortran. Most of the uses of AmberTools
are not tied to fortran compilers.

...dac

[It *is* true, however, that Amber is almost exclusively developed on
GNU/Linux systems, and we have only limited access to more traditional
UNIX environments. This will surely lead to porting problems from time
to time to non-Linux environments.]
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