[ghemical-devel] mopac7 package release candidate 2

[Jean Bréfort]

Le vendredi 10 décembre 2004 à 16:49 +0200, Tommi Hassinen a écrit :
> Hello,
> 
> the release candiate 2 (last one I hope :) for the mopac7 package is
> available here:
> 
> 	http://www.uku.fi/~thassine/tmp/mopac7-1.0_rc2_20041210.tgz
> 
> Improvements after RC1 are:
> 
> 	1) the libf2c/g2c issue is solved so that either libf2c or libg2c
> 	is required. The mopac7 executable is not compiled if only libg2c
> 	is available (due to missing main() function in libg2c). Also if
> 	only libg2c is available, a local f2c.h include file is created
> 	which includes g2h.h and contains some definitions that are
> 	missing from g2c.h header file. Thanks Jean for these fixes!
> 
> 	2) the source files are now in src/ subdirectory.
> 
> I will later today add the libg2c related fixes in ghemical/libghemical
> CVS trees as well.
> 
> Regards,
> 
> 	Tommi


Hello,

Sorry for responding late.
The new tarballs works fine for me, both on 32 and 64 bits platforms. I
tested libghemical from cvs which also combine fine. I have just a
concern about mpqc I already have express some times ago if I remember
well.

I would like to know if it make sense to compile libghemical with
--with-mpqc and ghemical with --without-mpqc or vice versa. If this does
not make sense, the mpqc option should be removed from the ghemical
configuration script and appropriate stuff should be added to
libghemical.pc.in

Also, note that as default build of mpqc is only static, the same should
apply IMHO to libghemical to avoid problems.

Best regards,

Jean