[ghemical-devel] g2c libraries

[Dr. Seth Olsen]

Hi Tommi,

I am using 1.91. If the complaint coming from the linker is that it can't
find -lg2c, isn't that indicative of a shared library and not an include
file? This will undoubtedly uncover me as an initiate in the dark arts of
compilation and linking.

I could try without mopac7, but the primary motivation for my interest in
ghemical is its potential use as a QM/MM interface. If I cannot get it to
work with either mopac7 or mpqc, than I will not be able to investigate the
aspects of ghemical in which I am most interested.

Cheers,

Seth

On 11/18/05, Tommi Hassinen <thassine at messi.uku.fi> wrote:
>
> Hello,
>
> I think you did not mention the version number. The latest development
> versions 1.91 of ghemical/lighemical should compile fine without either
> g2c.h or f2c.h (if you don't want to use the mopac7 features).
>
> Tommi
>
>
> On Thu, 17 Nov 2005, Dr. Seth Olsen wrote:
>
> > Hi Ghemical developers,
> >
> > I've been struggling to build Ghemical on my pentium M laptop running
> FC4
> > with gcc4.0.1. I finally succeeded in getting libghemical to compile
> (albeit
> > for the time being without mpqc support - although I have been directed
> to a
> > fix since then). However, when trying to build Ghemical, I am told that
> > -lg2c can't be found. I assume that the file I need is libg2c.a .
> However, I
> > am a bit confused about g2c. I understand from some web postings that
> g2c is
> > a gnu version of f2c, but the gnu site that I can find online states
> that
> > it's a 'glade to C' translator. I have always interpreted 'f2c' as
> 'fortran
> > to C'. I'm presently hung up on building a from-source version of g2c
> (can't
> > seem to find a binary) but this is failing miserably because it's not
> > linking well to my xml libraries (I think).
> >
> > Is there any way to build Ghemical without g2c? Is f2c adequate? Does
> anyone
> > know where a good i686 g2c binary can be located?
> >
> > Cheers,
> >
> > seth
> >
> >
> > ccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccms
> >
> > Dr Seth Olsen, PhD
> > Postdoctoral Fellow, Biomolecular Modeling Group
> > Centre for Computational Molecular Science
> > Chemistry Building,
> > The University of Queensland
> > Qld 4072, Brisbane, Australia
> >
> > tel (617) 33653732
> > fax (617) 33654623
> > email: s.olsen1 at uq.edu.au
> > Web: www.ccms.uq.edu.au <http://www.ccms.uq.edu.au> <
> http://www.ccms.uq.edu.au>
> >
> > ccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccms
>
>


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Dr Seth Olsen, PhD
Postdoctoral Fellow, Biomolecular Modeling Group
Centre for Computational Molecular Science
Chemistry Building,
The University of Queensland
Qld 4072, Brisbane, Australia

tel (617) 33653732
fax (617) 33654623
email: s.olsen1 at uq.edu.au
Web: www.ccms.uq.edu.au <http://www.ccms.uq.edu.au>

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