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update installation for hole2
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lilyminium committed Jan 23, 2024
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Expand Up @@ -45,3 +45,19 @@ From the repository root directory, run
conda build . && conda install --use-local mdahole2
to build the package and install the local build.

Installing hole2
~~~~~~~~~~~~~~~~

``mdahole2`` requires the ``hole2`` executable to be installed.

This is most easily done using ``conda``, ``mamba``, or a similar
package manager. For example, to install ``hole2`` using ``mamba``:

.. code:: bash
mamba install -c conda-forge hole2
Alternatively, ``hole2`` can be installed from the original HOLE_ website.

.. _HOLE: http://www.holeprogram.org

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