[Debichem-devel] Bug#465723: mopac7 -- please do not use g2c.

thassine at messi.uku.fi thassine at messi.uku.fi
Mon Feb 25 08:49:25 UTC 2008


Hello,

in my opinion it's a good idea to use either FORTRAN or C version of MOPAC7.
Many years earlier the use of f2c and C was the only way I could make this
system work, so that's why it is like we have it now.

MOPAC7 is mostly fortran, plus some (system-related) C-files thrown in. So the
FORTRAN compiler must be able to mix FORTRAN and C code, naturally. But
otherwise there is no reason why FORTRAN could not be used.

However, since I'm not really an expert FORTRAN programmer myself, and also
because MOPAC7 is a very old (and also very famous!) program, I would like to
be very very careful in making any changes in the program. And also I would
like to keep the original, unmodified source in a separate directory in the
package. So let's just maintain MOPAC7 very carefully...  :)

To summarize, the idea is good, and I hope we can make it work ; please tell me
if I can help. I'm not very good with those configuration tools but perhaps I
can do testing etc.

Regards,

Tommi





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