Dear all, I've got a version of the new, theoretically easier to install, RDKit distribution ready for testing. If you're feeling adventurous, you can get the new distribution from a branch: https://rdkit.svn.sourceforge.net/svnroot/rdkit/branches/EasyInstall_24Jan2009
Build/installation instructions for linux: http://code.google.com/p/rdkit/wiki/NewLinuxBuild and for windows: http://code.google.com/p/rdkit/wiki/NewWindowsBuild Adapting the linux build instructions for the Mac (things do work on the Mac; I did most of the development work there) is left as an exercise for the reader. :-) An important note about the new code layout, from ReleaseNotes.txt: - The directory structure of the distribution has been changed in order to make installation of the RDKit python modules more straightforward. Specifically the directory $RDBASE/Python has been renamed to $RDBASE/rdkit and the Python code now expects that $RDBASE is in your PYTHONPATH. When importing RDKit Python modules, one should now do: "from rdkit import Chem" instead of "import Chem". Old code will continue to work if you also add $RDBASE/rdkit to your PYTHONPATH, but it is strongly suggested that you update your scripts to reflect the new organization. I will over the next couple of days be putting some test binary distributions up and linking them via the Python Package Index. When I have done so I'll post about it. Because there is a huge number of changes here -- almost every python file has been modified -- I'm trying to be fairly conservative about merging this. The changes will stay on the branch for at least another week before I merge them back into the trunk. In the meantime, if anyone has the time and inclination to try out the new code layout, I'm very happy to hear feedback. -greg
