Hi Rich,

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On 9/14/07, richard apodaca <rich_apod...@yahoo.com> wrote:
> Noob here (and no C++ expert, either),
>
> RDKit looks very promising. I just downloaded it and
> have tried various (deeply flawed, no doubt) ways to
> get it to start compiling.
>
> Since the project seems to be VC++ - oriented, can
> anyone point me to specific docs for compiling RDKit
> on Linux?

It's definitely not VC++ centric. Everything *should* work on windows and linux.

>
> I've had a look at Docs/SoftwareRequirements.txt,
> which nicely lists all of the ingredients - I'm

hopefully it lists them correctly. :-)
Probably it doesn't :-(

> wondering about the build recipe itself.

The best suggestion I can give is to look at:
$RDBASE/Scripts/NightlyBuildAndTest.sh
That sets up all the relevant environment variables and executes the
commands to build and test everything. The short form is, after
setting the env vars, you do:
 1) "make" in $RDBASE/External
 2) "make all" in $RDBASE/Code
 3) "make regrs" in $RDBASE/Code (optional, but recommended)

The regressions/unit tests in the $RDBASE/Code directory should all
pass for you (except Demos/PgSQL, but that's hopefully not being built
anymore). The tests in the $RDBASE/Python directory won't work so
nicely; I haven't finished solving the problem of initializing
whatever database is available with the required tables and data yet.

Regards,
-greg

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