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Docs: Add more information on migrating from legacy aiida-core #163

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Oct 11, 2023
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Docs: Add more information on migrating from legacy aiida-core #163

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30 changes: 28 additions & 2 deletions docs/source/howto.rst
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Expand Up @@ -142,8 +142,34 @@ where ``<STRINGENCY>`` is a string that defines the recommended cutoffs, ``<FAMI
Migrate from legacy ``UpfData`` from ``aiida-core``
---------------------------------------------------

Since the earliest versions, ``aiida-core`` provided its own data plugin to support UPF pseudopotentials as well as a concept of a pseudopotential family.
The ``UpfData`` from ``aiida-core`` and related utilities are now deprecated and are replaced by ``aiida-pseudo``.
Since the earliest versions, ``aiida-core`` provided its own data plugin ``UpfData`` (with the entry point ``core.upf``) to support UPF pseudopotentials as well as a concept of a pseudopotential family.
That ``aiida.orm.nodes.data.upf`` module which defined the ``UpfData`` class and the ``verdi data core.upf`` command of ``aiida-core`` are now deprecated.
This migration guide provides instructions how to replace the deprecated functionality with ``aiida-pseudo``.

``UpfData``
...........

The ``UpfData`` class is replaced by the class of the same name from the ``aiida-pseudo`` package.
The import ``from aiida.orm.nodes.data.upf import UpfData`` can be replaced by ``from aiida_pseudo.data.pseudo import UpfData``.
The constructor of the two classes is almost identical, so this should be a drop-in replacement.

``verdi data core.upf``
.......................

==================================== ===============================
Deprecated Replacement
==================================== ===============================
``verdi data core.upf uploadfamily`` ``aiida-pseudo install family``
``verdi data core.upf listfamilies`` ``aiida-pseudo list``
``verdi data core.upf exportfamily`` Not yet implemented
``verdi data core.upf import`` Not yet implemented
``verdi data core.upf export`` Not yet implemented
==================================== ===============================


Migrating existing families
...........................

To migrate an existing UPF family from ``aiida-core``, use the following snippet:

.. code-block:: python
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