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Docs: Add Installation Steps for XAS Example
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Adds a note at the start of the guide specifying which version of the QE
App must be installed to access the XAS plugin, referring to the
relevant How-To guide on installing/upgrading the App for instructions
and specifying that the plugin is currently in a prerelease version.
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PNOGillespie committed Feb 1, 2024
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11 changes: 11 additions & 0 deletions docs/source/howto/xas.rst
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Expand Up @@ -15,6 +15,16 @@ Please refer to the relevant :doc:`How-To </howto/setup_computer_code>` section

To submit an XANES calculation with XSpectra and post-process the results

.. note::
The XAS plugin feature is available in the official AiiDALab-QE App as of pre-release `v24.04.0a1` and upwards.
See the relevant :doc:`How-To </howto/upgrade_uninstall>` guide on upgrading and remember to tick `include prereleases` when searching for the latest version in the App Manager.

If installing `via` the terminal, simply give the version number using the correct `PEP 440 version specifier`_\ :

.. code-block:: console
$ aiidalab install quantum-espresso>=v24.04.0a1
Start
-----

Expand Down Expand Up @@ -177,3 +187,4 @@ Here, you learned how to submit an XANES calculation on a remote machine using t
.. _reference for atomic numbers 10-110: https://dx.doi.org/10.1063/1.555595
.. _inelastic mean free path: https://dx.doi.org/10.1002/sia.740010103
.. _Calandra & Bunau (2013): https://dx.doi.org/10.1103/PhysRevB.87.205105
.. _PEP 440 version specifier: https://www.python.org/dev/peps/pep-0440/#version-specifiers

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