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

Kumar Appaiah akumar at ee.iitm.ac.in
Mon Feb 25 03:55:41 UTC 2008

On Mon, Feb 25, 2008 at 04:25:57AM +0100, Daniel Leidert wrote:
> I wonder if we really win something by changing from libg2c0-dev to
> libf2c2-dev. Maybe an alternative (I'm not familiar enough here, so
> please don't hesitate to comment my proposal):
> We could take fortran/Makefile.am and put the library creation stuff
> into it and use the FORTRAN sources. instead of the f2c-generated C
> sources. That requires copying libmopac7.c and libmopac7.h from src/
> into fortran and running autoreconf. So we can maybe drop the
> libg2c0/libf2c2 dependency completely for the library. Also the
> application seems to have a FORTRAN source.

This is the best way ahead. After some consulting on #gfortran, I was
advised not to use f2c, but prefer to provide the f2c calls in the
source of mopac7. Depending on g2c is not an option because the
gfortran transition would imply not using g2c.

> I'm not familiar with FORTRAN and I miss time to examine this atm.
> Reading the docs I think, maybe a "scratch file" should be opened, so I
> removed the STATUS stuff and then it compiles some more files. But it
> stops at:

I am also not too good, but I'll try giving it a shot later if the
maintainers don't get back to it.

> > symtrz.f:1045.30:
> > 
> >       DATA TOLER,IFRA /  0.1, '????'/                                   
> >                              1
> > Error: Incompatible types in assignment at (1), CHARACTER(1) to INTEGER(4)
> After fixing this one and a typo (s/NAMES/NAME) a few lines later (CCed
> Tommi Hassinen with this mail), it compiles, but it fails with:
> .libs/fdate.o: In function `fdate_':
> /usr/local/src/Packages/mopac7/mopac7-1.13/fortran/fdate.c:27: undefined
> reference to `s_copy'
> collect2: ld returned 1 exit status
> This is because fortran/fdate.c uses s_copy(). If we can replace this
> one too (not hard): Is there anything that prevents us from directly
> compiling the FORTRAN sources to create the library and program?

No, and that would be waaay better than depending on the obsolete f2c,
though I am not the deciding authority here. :-)


Kumar Appaiah,
458, Jamuna Hostel,
Indian Institute of Technology Madras,
Chennai - 600 036
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