Re: [cclib-devel] Openbabel 2.1 Windows installer

[Noel O'B. <bao...@gm...>]

On 26/04/07, Chris Morley <c.m...@ga...> wrote:
> I also have had these compiling difficulties. My computer was down for a
> couple of weeks before the release of the source files and I wasn't able
> to check that they continued to compile. I have downloaded the released
> source and it needed a couple of minor changes. I also had to reinstall
> all my programs so that my wxWidgets version is 2.83.
Are you saying that I need wxWidgets 2.8.3 also? I think you are - I
saw that you updated the compile instructions on the wiki.

> In addition, Geoff
> seems to have removed some essential files from the distribution - like
> the libxml2 headers.
I'm posting to the list so Geoff can fill us in.

> At http://www.gaseq.co.uk/OB/openbabel-2.1.0.7z is a copy of the 2.1.0
> project which compiles for me. (I haven't tried OBPython recently.) We
> can get in a mess with versions and really will have to do it better
> next time.
I think it's fine so long as we use SVN and tag the release once it
compiles fine and has been tested. Then it is clear exactly what was
contained in the release. If we work locally, it will be more
difficult to untangle things.

> I suspect that the following data files should be included:
> SMARTS_InteLigand.txt
> logp.txt
> mr.txt
> psa.txt
> ghemical.prm
> It is difficult finding machine empty enough to be sure.
I have a pretty empty machine for testing once we get to this stage.

> If you would prefer to do this a different way, please say.
I'd really like to work from SVN, although it looks like we should be
working off the 2.1.x release branch rather than the trunk. If you
could get this to compile I think this is a better idea than working
off a download of the 2.1.0 release.

Geoff periodically merges from the release branch to the trunk (and
vice versa I guess in some cases), so any changes you/we make will be
incorporated into the trunk also.

Noel