Building the extension

Configure and build

The supported build system uses cmake, and it requires RDKit 2020.09.1 or later.

Note

The code was built successfully on some Linux and OSX systems. Building on other operating systems (e.g. Windows) is probably possible, but it wasn’t tested.

Default Linux build:

$ cd build/dir
$ cmake path/to/chemicalite/dir
$ make
$ LD_LIBRARY_PATH=$PWD/src make test

Building with tests disabled:

$ cmake path/to/chemicalite/dir -DCHEMICALITE_ENABLE_TESTS=OFF