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Copy file name to clipboardExpand all lines: docs/source/installation/docker.rst
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@@ -77,7 +77,7 @@ Any data that was created in a previous session is still available.
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.. caution::
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When the container is not just stopped but *deleted*, any data stored in the container, including the data stored in the profile's storage, is permanently localhost
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When the container is not just stopped but *deleted*, any data stored in the container, including the data stored in the profile's storage, is permanently deleted.
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To ensure the data is not lost, it should be persisted on a volume that is mounted to the container.
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Refer to the section on :ref:`persisting data <installation:docker:persisting-data>` for more details.
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This storage plugin uses `PostgreSQL <https://www.postgresql.org/>`_ and the `disk-objectstore <https://disk-objectstore.readthedocs.io/en/latest/>`_ to store data.
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The ``disk-objectstore`` is a Python package that is automatically installed as a dependency when installing ``aiida-core``, which was covered in the :ref:`Python package installation section <installation:guide-complete:python-package>`.
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The storage plugin can connect to a PostgreSQL instance running on the localhost or on a server that can be reached over the internet.
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Instructions for installing PostgreSQL is beyond the scope of this guide.
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Instructions for installing PostgreSQL is beyond the scope of this guide. You can find the installation instructions for your system on the `PostgreSQL website <https://www.postgresql.org/docs/current/tutorial-install.html>`__.
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Before creating a profile, a database (and optionally a custom database user) has to be created.
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First, connect to PostgreSQL using ``psql``, the `native command line client for PostgreSQL <https://www.postgresql.org/docs/current/app-psql.html>`_:
Copy file name to clipboardExpand all lines: docs/source/intro/index.rst
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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.
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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:
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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>`__, `doi <https://doi.org/10.1016/j.commatsci.2015.09.013>`__). Some of the key features of AiiDA include:
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* **Workflows:** AiiDA allows to build and execute complex, auto-documenting workflows linked to multiple codes on local and remote computers.
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* **High-throughput:** AiiDA's event-based workflow engine supports tens of thousands of processes per hour with full check-pointing.
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* **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.
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* **Advanced queries:** AiiDA's query language enables fast graph queries on millions of nodes.
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* **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/>`__).
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* **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>`__).
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* **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 <https://docs.adaptivecomputing.com/torque/5-0-0/help.htm>`__, `SGE <http://gridscheduler.sourceforge.net/>`__ or `LSF <https://www.ibm.com/docs/en/spectrum-lsf>`__).
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* **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>`__.
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* **Open source:** AiiDA is released under the `MIT open-source license <https://github.com/aiidateam/aiida-core/blob/main/LICENSE.txt>`__.
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