[ghemical-devel] mopac7 duplicate symbol problem

[Mark Tracy]

Michael:

I saw this thread in the archives (I joined only this evening). I have  
also been working on this problem, and arrived at essentially the same  
solution.  I also used the fink system to supply the other  
dependencies for mopac7 and ghemical.  I have written a shell script  
that automates the process of collecting the output of `f2c -ec *.f`  
into a single commons.c file, and a patch file that adds it to the  
necessary Makefiles. The script has lots of comments describing how to  
use it, what it does and why. The patch file also adjusts a few other  
things.

I used
   CFLAGS="-I/sw/include -O2" configure --disable-shared
I noticed that the configure script emits CFLAGS exactly as given in  
the environment, so the -O2 has to be explicit; this is perhaps a bug.  
I could not get a shared library to work, although it built.

A few of the changes were done so that libghemical-2.96 could link  
both mopac7-1.13 and mpqc-2.3.1.  If you want to do that, I recommend  
using fink's gcc42 to build everything.

Furthermore, it works for 10.4 and 10.5. As an added bonus, the hacked  
version builds and runs normally under Suse-10.2.

Did you notice if the reported runtimes were crazy? For me under 10.4  
they were inflated by a factor of about 10000; under 10.5 they were  
always zero.

Cheers,
Mark Tracy


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