Molbiol & Linux?

Tony Travis ajt at rri.sari.ac.uk
Thu Jun 3 12:12:43 EST 1993

Martin Kroeker (martin at de.th-darmstadt.chemie.oc.oc2) wrote:
: [...]
: f2c makes a very reliable gcc front end. I have successfully compiled several
: thousand lines of code (e.g. MOPAC, GROMOS, RIBBON, ORTEP).

I've used both f2c and p2c which translate fortran or pascal to C
respectively.  Their stated objectives are to provide a means of
compiling an equivalent program on platforms that do not have a native
fortran or pascal compiler available (or it is too expensive).

They do this job very well, but the code they produce is HORRENDOUS and
not intended to be seen by human programmers!  There are other programs
available like BSD "struct" which 'structures' fortran into quite good
ratfor.  This is rather different and f2c or p2c are not good at it!!

It is important to consider what the objective of translating from one
programming language to another is.  After all, mixed language
compilation is straight-forward on most systems (including DOS) as long
as you observe the parameter passing conventions and know the
correspondence between types in the two languages.

Personally, I structure fortran programs into ratfor so I can understand
the algorithms.  I expect a public domain fortran de-spagg program would
do the same, but the only one I know about is "tidy" which is limited.

Are there any *good* free fortran 'improvers' available?

Dr. A.J.Travis,                       |  JANET: <ajt at uk.ac.sari.rri>
Rowett Research Institute,            |  other: <ajt at rri.sari.ac.uk>
Greenburn Road, Bucksburn,            |  phone: +44 (0)224 712751
Aberdeen, AB2 9SB. UK.                |    fax: +44 (0)224 715349

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