T , 2011-12-21 14:04 -0500, Geoffrey Hutchison rakstīja:
> > IMHO, OBv3 goals have been set some time ago and many of them are completed 
> > now, so its completion
> > should be pursued first since its easier and faster to work with the
> > existing code, especially when most of the functionality is already
> > there. That should be v3. MolCore could come later after that in v4.
> 
> I'm not going to comment about version numbering. In many software
> products (Microsoft?) we're probably already on Open Babel v4 or v5. I
> note that Open Eye ships a "babel" program that they call babel v3. We
> periodically add features to "point" releases. I don't really care
> about what numbering system is used, and I expect most users don't
> either.
> 
> That wasn't the point of my message. Those who care about such things
> have probably noticed that development still continues on a version
> which may be released as v2.4 -- it currently calls itself 2.3.90 or
> something. Work will continue. Open Babel will continue to exist, and
> new features will be added.
> 

My point also was not about version numbering, but rather the project v3
which has been documented in OB wiki with its goals. I would like to see
them reached. That said, version numbering is not completely irrelevant
either, because as far as I know OB strives to have a stable API and
ABI, but at some point it has to be broken for fixes and general
improvements. So the question is, when this breakage will be allowed?

> Believe me, the point is not lost that it's "easier and faster to work
> with existing code." The whole reason Open Babel *exists* is because
> Open Eye felt they needed to completely rewrite their code "from
> scratch." I've been in projects that try to do that, and it's known to
> be a bad idea.
> 
> That's not really what MolCore is doing -- there are more than enough
> codebases that nothing is being done from scratch. But please feel free
> to come over to molcore.org and molcore-de...@lists.sf.net if you'd
> like to find out more.
> 

Glad to hear that I got wrong impression in this case.

> > There are plenty of things to improve in the existing OB code base to
> > make it more robust and easier to work with as a library. I personally
> > see that as a more urgent priority
> 
> Great. Suggestions and code contributions (including many which you
> have already given) are always welcome.
> 

In our university we have a course on opensource and I'm considering to
use that as an excuse to do some OB programming next semester :) I don't
have a big programming experience so I would be of little help to design
a library, but I was looking at v3 goals and most of them looked doable
and some were the pain points when I was using OB as library.

> I just felt that giving an e-mail about the past 10 years should give
> some forward-looking comments about the next X years. :-)

Sure, it is nice or maybe even required to have a clear vision for
future development, the post was very much appreciated. To articulate
that in a well-defined road map would also be useful.


Reinis


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