Jeff,
On Mon, May 26, 2014 at 5:34 PM, Jeff Janes <jeff.ja...@gmail.com> wrote:
> I've succeeded in building Chemistry::OpenBabel, but only with great
> difficulty and a lot of random flailing around. I decided to go back and
> take it step by step to figure out what is going on.
>
Even after compiling it, I was never able to get anything to link and work
correctly. I encountered the same set of problems when I tried to link
OpenBabel into an extension to the Postgres database, which (like Perl) is
also written in C. In both cases, when the main program is written in C, it
fails proper execution of C++ initializers in OpenBabel's dynamically
linked file-format modules.
I never had the time nor the expertise to investigate and solve all the
compiler/linker/dynaloader issues. I just needed something that works year
after year. If you get Chemistry::OpenBabel to compile, link and actually
execute, that would be a good thing.
I gave up, and now use OpenBabel via an Apache FastCGI module (via
mod_fastcgi) with a Perl wrapper that hides the details. That way,
OpenBabel is linked to a C++ main program, not a C program. It's quite
fast. As a side benefit, allows easy parallelization since Apache manages
processes and queues jobs very effectively. It's trivial to launch eight
SMARTS searches in parallel, or to spread a task across several servers.
Craig
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