{ "info": { "author": "The AiiDA team", "author_email": "developers@aiida.net", "bugtrack_url": null, "classifiers": [ "License :: OSI Approved :: MIT License", "Programming Language :: Python :: 2" ], "description": "[![Build Status](https://travis-ci.org/aiidateam/aiida-metakpg.svg?branch=master)](https://travis-ci.org/aiidateam/aiida-metapkg)\n[![PyPI version](https://badge.fury.io/py/aiida.svg)](https://badge.fury.io/py/aiida)\n\n\"AiiDA\"\n\n**Automated Interactive Infrastructure and Database for Computational\nScience**\n\nAiiDA is a sophisticated framework designed from scratch to be a\nflexible and scalable infrastructure for computational science. Being\nable to store the full data provenance of each simulation, and based on\na tailored database solution built for efficient data mining\nimplementations, AiiDA gives the user the ability to interact seamlessly\nwith any number of HPC machines and codes thanks to its flexible plugin\ninterface, together with a powerful workflow engine for the automation\nof simulations.\n\nFor instructions on how to install AiiDA, see the [documentation](http://aiida-core.readthedocs.io).\n\n## Metapackage\n\nThis repository contains the official **metapackage** of AiiDA, which\nserves as a shortcut to install both the core framework alongside a few\nuseful plugins:\n\n- [aiida-core](https://github.com/aiidateam/aiida_core)\n- [aiida-quantumespresso](https://github.com/aiidateam/aiida-quantumespresso)\n- [aiida-nwchem](https://github.com/aiidateam/aiida-nwchem)\n- [aiida-ase](https://github.com/aiidateam/aiida-ase)\n- [aiida-codtools](https://github.com/aiidateam/aiida-codtools)\n\n\n## How to cite AiiDA\n\nIf you use AiiDA in your research, please consider citing the following\nwork:\n\n> Giovanni Pizzi, Andrea Cepellotti, Riccardo Sabatini, Nicola Marzari,\n> and Boris Kozinsky, *AiiDA: automated interactive infrastructure and\n> database for computational science*, Comp. 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