Dear all, I've merged the contents of the EasyInstall branch of the RDKit code onto the trunk. This has some consequences for those using the code from Python which are detailed in this repeat of some of the contents of my previous message on this topic:
------------ 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 had hoped to be able to do a one click (or one line) binary installer for the python modules, but that seems to be more difficult than I had expected : things are fine on linux and the mac, but don't seem to work the way I want on windows (which is probably where they are most needed). I will try to do a bit more investigation of this before the next release, but it's not high priority. Best regards, -greg
