[ghemical-devel] new releases

[Jean Bréfort]

Le samedi 02 juillet 2005 à 15:27 +0200, Michael Banck a écrit :
> On Fri, Jul 01, 2005 at 10:04:35PM +0300, Tommi Hassinen wrote:
> > ghemical-1.02 is a MANY_PROJECTS_BRANCH release ; bugfixes to 1.0x series
> > 	-> needs mopac7-1.00
> > 	-> needs openbabel-1.100.2
> > 	-> optionally needs mpqc
> 
> I'm having issues with <g2c.h>, as included by qm1e_mopac.cpp:
> 
> qm1e_mopac.cpp:16:17: g2c.h: No such file or directory
> 
> g2c.h is included in Debian's libg2c0-dev package, though in
> /usr/lib/gcc/i486-linux/3.4.5/include/g2c.h, and just #include <g2c.h>
> doesn't find it, as can be seen from a trivial program.
> 
> MOPAC seems to include "f2c.h" which works.
> 
> Am I missing a package (I got f2c, libg2c0-dev installed), should
> ghemical optionally include f2c.h if it can't find g2c.h, or is it
> something else alltogether?

/usr/lib/gcc/i486-linux/3.4.5/include/ is a standard path for headers
when you use gcc-3.4.5 on a i486-linux machine. mopac7 includes f2c.h
which, normally, include g2c.h.
I have not tried to compile ghemical-1.02 yet (problems with
openbabel-2.0.0b2).

Best regards,
Jean