Re: [AMBER-Developers] updating Fortran files to .F/.F90

From: Tyler Luchko <>
Date: Mon, 10 Oct 2011 21:47:29 -0400

On 2011-10-10, at 8:00 PM, David Case wrote:

>> How about we have just .F90 (or .f90) and that is it. Any fixed format files
>> can be 'rm' optimized out of the next AMBER release.
> This is not a good idea, in my view. Aside from errors we might introduce in the conversion to free format, some code we didn't write (like lapack) is fixed format, and could not be easily changed. It doesn't seem that hard to support both.

Just to be clear, lapack is an external project so the script does not touch anything in the lapack directory. While the Makefile is a special Amber version, it doesn't call cpp so there is nothing to change.

As for our legacy fixed-format files, such as nxtsec.f, that work just fine, converting them to free-format could introduce errors. I have used a Perl script in the past to make such conversion but it was not 100% reliable. There may be better scripts out there now but I don't think such a conversion is necessary.


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Received on Mon Oct 10 2011 - 19:00:02 PDT
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