Installation

Mopactools is available on PyPI and can be installed using a standard pip install mopactools. The PyPI distribution includes a copy of the MOPAC shared library. Mopactools will also be available on the conda-forge channel of the Conda package manager in the near future.

Otherwise, mopactools can be installed locally from a clone of its GitHub repository using a standard pip install . command in the root of the source directory. For mopactools to function correctly, it must be able to find the MOPAC shared library in the system path or in the lib subdirectory of the installed package directory. If a copy of the MOPAC shared library is placed into the lib subdirectory of the source package, then the pip install . command will create another copy in the installed package directory.