Building the extension

Dependencies

  • SQLite (devel package too)
  • RDKit

Support for loading extensions is often disabled in the sqlite3 package that is provided by the python standard library. Using the extension from Python may therefore require a proper build of pysqlite (python2.7 only), or or APSW. APWS is also required for running the python tests.

Configure and build

Default linux build:

$ cd build/dir
$ cmake path/to/chemicalite/dir -DRDKit_DIR=path/to/rdkit/lib/dir
$ make
$ LD_LIBRARY_PATH=. make test

Building with tests disabled:

$ cmake path/to/chemicalite/dir \
    -DRDKit_DIR=path/to/rdkit/lib/dir -DCHEMICALITE_ENABLE_TESTS=OFF

Or only python tests disabled:

$ cmake path/to/chemicalite/dir \
    -DRDKit_DIR=path/to/rdkit/lib/dir -DCHEMICALITE_ENABLE_PYTHON_TESTS=OFF