<br>
Hi Tommi,<br>
<br>
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. <br>
<br>
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.<br>
<br>
Cheers,<br>
<br>
Seth<br><br><div><span class="gmail_quote">On 11/18/05, <b class="gmail_sendername">Tommi Hassinen</b> <<a href="mailto:thassine@messi.uku.fi">thassine@messi.uku.fi</a>> wrote:</span><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
Hello,<br><br>I think you did not mention the version number. The latest development<br>versions 1.91 of ghemical/lighemical should compile fine without either<br>g2c.h or f2c.h (if you don't want to use the mopac7 features).
<br><br> Tommi<br><br><br>On Thu, 17 Nov 2005, Dr. Seth Olsen wrote:<br><br>> Hi Ghemical developers,<br>><br>> I've been struggling to build Ghemical on my pentium M laptop running FC4<br>> with gcc4.0.1
. I finally succeeded in getting libghemical to compile (albeit<br>> for the time being without mpqc support - although I have been directed to a<br>> fix since then). However, when trying to build Ghemical, I am told that
<br>> -lg2c can't be found. I assume that the file I need is libg2c.a . However, I<br>> am a bit confused about g2c. I understand from some web postings that g2c is<br>> a gnu version of f2c, but the gnu site that I can find online states that
<br>> it's a 'glade to C' translator. I have always interpreted 'f2c' as 'fortran<br>> to C'. I'm presently hung up on building a from-source version of g2c (can't<br>> seem to find a binary) but this is failing miserably because it's not
<br>> linking well to my xml libraries (I think).<br>><br>> Is there any way to build Ghemical without g2c? Is f2c adequate? Does anyone<br>> know where a good i686 g2c binary can be located?<br>><br>> Cheers,
<br>><br>> seth<br>><br>><br>> ccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccms<br>><br>> Dr Seth Olsen, PhD<br>> Postdoctoral Fellow, Biomolecular Modeling Group<br>> Centre for Computational Molecular Science
<br>> Chemistry Building,<br>> The University of Queensland<br>> Qld 4072, Brisbane, Australia<br>><br>> tel (617) 33653732<br>> fax (617) 33654623<br>> email: <a href="mailto:s.olsen1@uq.edu.au">s.olsen1@uq.edu.au
</a><br>> Web: <a href="http://www.ccms.uq.edu.au">www.ccms.uq.edu.au</a> <<a href="http://www.ccms.uq.edu.au">http://www.ccms.uq.edu.au</a>><br>><br>> ccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccms
<br><br></blockquote></div><br><br clear="all"><br>-- <br>ccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccms<br><br>Dr Seth Olsen, PhD<br>Postdoctoral Fellow, Biomolecular Modeling Group<br>Centre for Computational Molecular Science
<br>Chemistry Building,<br>The University of Queensland<br>Qld 4072, Brisbane, Australia<br><br>tel (617) 33653732<br>fax (617) 33654623<br>email: <a href="mailto:s.olsen1@uq.edu.au">s.olsen1@uq.edu.au</a><br>Web: <a href="http://www.ccms.uq.edu.au">
www.ccms.uq.edu.au</a> <br><br>ccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccmsccms<br><br>