[ghemical-devel] new releases

[Michael Banck]

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?


thanks,

Michael