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Docs: Reorganize the tutorial content (#6288)
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The tutorials are moved to a separate page. A link is added to the
`aiida-tutorials` repository as a source of additional tutorials. In the
future, valuable tutorial information will be taken from there and
directly integrated in the new tutorials page of the `aiida-core` docs.

The "What is AiiDA" section is moved to the index page of the
introduction.
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khsrali authored Mar 8, 2024
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4 changes: 2 additions & 2 deletions CHANGELOG.md
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Expand Up @@ -1378,7 +1378,7 @@ This command runs the `verdi` CLI using the currently loaded profile of the IPyt
%verdi status
```

See the [Basic Tutorial](docs/source/intro/tutorial.md) for example usage.
See the [Basic Tutorial](docs/source/tutorials/basic.md) for example usage.

### New `SqliteTempBackend` ✨

Expand All @@ -1403,7 +1403,7 @@ profile = load_profile(
)
```

See the [Basic Tutorial](docs/source/intro/tutorial.md) for example usage.
See the [Basic Tutorial](docs/source/tutorials/basic.md) for example usage.

### Key Pull Requests

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7 changes: 4 additions & 3 deletions docs/source/index.rst
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Expand Up @@ -49,15 +49,15 @@ Welcome to AiiDA's documentation!

To the installation guides

.. grid-item-card:: :fa:`info-circle;mr-1` Tutorial
.. grid-item-card:: :fa:`info-circle;mr-1` Tutorials
:text-align: center
:shadow: md

First time users: Get your feet wet with AiiDA basics!
Concrete step-by-step examples.

+++++++++++++++++++++++++++++++++++++++++++++

.. button-ref:: intro/tutorial
.. button-ref:: tutorials/index
:ref-type: doc
:click-parent:
:expand:
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:hidden:

intro/index
tutorials/index
howto/index
topics/index
reference/index
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20 changes: 0 additions & 20 deletions docs/source/intro/about.rst

This file was deleted.

1 change: 1 addition & 0 deletions docs/source/intro/get_started.rst
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Expand Up @@ -17,6 +17,7 @@ An AiiDA installation consists of three core components (plus any external codes
install_system
install_conda
run_docker
installation

.. _intro:install:setup:
.. _intro:get_started:setup:
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29 changes: 26 additions & 3 deletions docs/source/intro/index.rst
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Expand Up @@ -2,11 +2,34 @@
Introduction
============

.. _intro:about:


*************
What is AiiDA
*************


AiiDA is an open-source Python infrastructure to help researchers with automating, managing, persisting, sharing and reproducing the complex workflows associated with modern computational science and all associated data.

AiiDA is built to support and streamline the four core pillars of the ADES model: Automation, Data, Environment, and Sharing (described `here <https://arxiv.org/abs/1504.01163>`__). Some of the key features of AiiDA include:

* **Workflows:** AiiDA allows to build and execute complex, auto-documenting workflows linked to multiple codes on local and remote computers.
* **High-throughput:** AiiDA's event-based workflow engine supports tens of thousands of processes per hour with full check-pointing.
* **Data provenance:** AiiDA automatically tracks and records inputs, outputs and metadata of all calculations and workflows in extensive provenance graphs that preserve the full lineage of all data.
* **Advanced queries:** AiiDA's query language enables fast graph queries on millions of nodes.
* **Plugin interface:** AiiDA can support via plugins any computational code and data analytics tool, data type, scheduler, connection mode, etc. (see `public plugin repository <https://aiidateam.github.io/aiida-registry/>`__).
* **HPC interface:** AiiDA can seamlessly deal with heterogeneous and remote computing resources; it works with many schedulers out of the box (`SLURM <https://slurm.schedmd.com>`__, `PBS Pro <https://www.pbspro.org/>`__, `torque <http://www.adaptivecomputing.com/products/torque/>`__, `SGE <http://gridscheduler.sourceforge.net/>`__ or `LSF <https://www.ibm.com/docs/en/spectrum-lsf>`__).
* **Open science:** AiiDA allows to export both full databases and selected subsets, to be shared with collaborators or made available and browsable online on the `Archive <https://archive.materialscloud.org/>`__ and `Explore <https://www.materialscloud.org/explore>`__ sections of `Materials Cloud <https://www.materialscloud.org>`__.
* **Open source:** AiiDA is released under the `MIT open-source license <https://github.com/aiidateam/aiida-core/blob/main/LICENSE.txt>`__.

See also the `list of AiiDA-powered scientific publications <http://www.aiida.net/science/>`__ and `testimonials from AiiDA users <http://www.aiida.net/testimonials/>`__.


.. toctree::
:maxdepth: 1

about
get_started
installation
tutorial
../tutorials/index
Cheat sheet <https://aiida-tutorials.readthedocs.io/en/legacy/_downloads/5f69c3f9ce1f31f1f959b3da46fdc99d/cheatsheet.pdf>
troubleshooting
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Expand Up @@ -21,8 +21,7 @@ execution:
(tutorial:basic)=
# Basic tutorial

Welcome to the AiiDA tutorial!
The goal of this tutorial is to give you a basic idea of how AiiDA helps you in executing data-driven workflows.
The goal of this tutorial is to give you an idea of how AiiDA helps you in executing data-driven workflows.
At the end of this tutorial, you will know how to:

- Store data in the database and subsequently retrieve it.
Expand All @@ -36,7 +35,7 @@ If this is not the case, consult the {ref}`getting started page<intro:get_starte
:::

:::{tip}
This tutorial can be downloaded and run as a Jupyter Notebook: {nb-download}`tutorial.ipynb` {octicon}`download`
This tutorial can be downloaded and run as a Jupyter Notebook: {nb-download}`basic.ipynb` {octicon}`download`
:::

```{code-cell} ipython3
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39 changes: 39 additions & 0 deletions docs/source/tutorials/index.rst
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.. _tutorials:

**********
Tutorials
**********

For new users, it is recommended to start with the :ref:`basic tutorial <tutorial:basic>`.




.. grid:: 1 1 2 2
:gutter: 3

.. grid-item-card:: :fa:`baby;mr-1` Basic tutorial

.. button-ref:: tutorial:basic
:ref-type: ref
:click-parent:
:class: btn-link

First time users: Get your feet wet with AiiDA!

This tutorial provides an introductory overview of AiiDA, demonstrating how calculations and workflows are run and how the data they generate is automatically stored in a provenance graph.


.. grid-item-card:: :fa:`fire;mr-1` Additional tutorials

`Additional tutorials <https://aiida-tutorials.readthedocs.io/en/latest/>`_

These tutorials were part of in-person hands-on workshops that have been organized since 2016. In addition to tutorials, they include Youtube videos of recorded presentations and demonstrations by the AiiDA team.



.. toctree::
:maxdepth: 1

basic
Additional tutorials <https://aiida-tutorials.readthedocs.io/en/latest/>

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