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Windows installation instructions
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pjknowles committed Nov 18, 2022
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pymolpro is on `conda forge <https://conda-forge.org>`_ and can be installed on most systems using ``conda install -c conda-forge pymolpro``.
On Microsoft Windows, you need to also install `msys2 <https://www.msys2.org>`_,
and then, in an msys command window, ``pacman -S rsync``.
and then, in an msys command window, ``pacman -S rsync openssh``.

For a complete set-up of pymolpro within Jupyter notebooks on Windows,

* Install `Molpro <https://www.molpro.net>`_, and msys2 as described above.
* Install `Anaconda3 <https://www.anaconda.com>`_
* Open Anaconda Navigator
* Select the ``Environments`` tab and press the ``Create`` button. Give your new conda environment a name, e.g. ``pymolpro-jupyter``.
* With the ``Channels`` button, add the ``conda-forge`` channel, and then select ``Not installed`` and search for, and install ``pymolpro``, ``jupyter``, ``nb_conda_kernels``, as well as any other packages you might want, such as ``matplotlib``.
* Select the ``Home`` tab and run the Jupyter Notebook application, ensuring that the selected environment is ``pymolpro-jupyter``.

.. toctree::
:maxdepth: 2
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