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update documentation for removal of add_or_update_property
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ilia-nikiforov-umn committed Nov 11, 2024
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2 changes: 1 addition & 1 deletion docs/source/index.rst
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Expand Up @@ -78,7 +78,7 @@ Once the above prerequisites are satisfiied, you can install using ``pip``:
pip install --user git+https://github.com/openkim/kim-tools.git
If you are installing on an HPC cluster, you may need to use different options to achieve the desired result. Note that if you wish to be able to use the included command-line utility ``add_or_update_property`` (you will if you are developing a new Crystal Genome Test Driver), the prerequisite package ``kim-property`` must be installed in an editable location. The ``--user`` option included in the example command does so.
If you are installing on an HPC cluster, you may need to use different options to achieve the desired result.

API Documentation, Indices and tables
=====================================
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8 changes: 2 additions & 6 deletions docs/source/tutorial_debug.rst
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Expand Up @@ -12,12 +12,8 @@ A practical guide for testing your Driver on a variety of crystal structures is
Everything you need to run the example script is containerized in the :ref:`doc.KDP`,
or alternatively will be installed if you follow the :ref:`doc.standalone_installation`.

If you have not yet done so, you must also use the ``add_or_update_property`` command-line tool packaged with ``kim-tools``
to add any custom properties:

.. code-block:: bash
add_or_update_property ~/test-drivers/CrystalGenomeASEExample__TD_000000654321_000/local-props/energy-vs-volume-isotropic-crystal.edn
``kim-tools`` will automatically look for property definitions in the ``local-props`` and ``local_props`` subdirectories of the current working directory. If you wish to put them somewhere else,
you can point the environment variable ``KIM_PROPERTY_PATH`` to their location. ``kim-tools`` will expand any globs, including recursive ``**``.

Example Script for Running a Crystal Genome Test Driver
=======================================================
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1 change: 0 additions & 1 deletion docs/source/tutorial_pipeline.rst
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Expand Up @@ -60,7 +60,6 @@ Assuming you have left the first few lines of ``test_generator.json`` intact, yo
.. code-block:: bash
kimitems install -D EAM_Dynamo_AcklandTichyVitek_1987_Ag__MO_212700056563_005
add_or_update_property ~/test-drivers/CrystalGenomeASEExample__TD_000000654321_000/local-props/energy-vs-volume-isotropic-crystal.edn
pipeline-run-pair CrystalGenomeASEExample_A_cF4_225_a_Ag_0_1__TE_* EAM_Dynamo_AcklandTichyVitek_1987_Ag__MO_212700056563_005 -v
You should see the output of the test, and there should be a new directory in ``~/test-results/`` with the ``results.edn`` file containing the resulting KIM Property Instance,
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7 changes: 2 additions & 5 deletions docs/source/tutorial_property.rst
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Expand Up @@ -16,11 +16,8 @@ Here are some examples of existing Crystal Genome properties:

It is possible that your Test Driver will write multiple material properties. In this case, create a separate property definition file for each. For example, the bulk modulus and elastic constants shown above are separate properties.

Once you have created your property definition file, you need to run the ``add_or_update_property`` command-line utility included with this package. Pass the path to the property definition file as a command line argument. For example, to add the property provided with ``CrystalGenomeASEExample__TD_000000654321_000``, assuming you have placed the driver into ``/home/openkim/test-drivers/``, run

.. code-block:: bash
add_or_update_property /home/openkim/test-drivers/CrystalGenomeASEExample__TD_000000654321_000/local-props/energy-vs-volume-isotropic-crystal.edn
``kim-tools`` will automatically look for property definitions in the ``local-props`` and ``local_props`` subdirectories of the current working directory. If you wish to put them somewhere else,
you can point the environment variable ``KIM_PROPERTY_PATH`` to their location. ``kim-tools`` will expand any globs, including recursive ``**``.

Once your property is finalized, you will need to request a member of the OpenKIM team to permanently add it to the collection of `KIM Property Definitions <https://openkim.org/properties>`_. Your property should only be added after you have gone through the rest of the steps in this tutorial to make sure you do not encounter any unanticipated problems while developing your Test Driver. However, you are encouraged to contact us early in the development to begin iterating on your property definiton.

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