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Installation | ||
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Mopactools will soon be available on PyPI and conda-forge, which will handle all aspects of the installation. In particular, | ||
they will package copies of the MOPAC shared library for convenient use within the Python software ecosystem. | ||
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. | ||
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Otherwise, mopactools can be installed locally 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. | ||
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. |