Hi Rich, [Administrivia note: Please subscribe to the list to post to it.]
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