Metadata-Version: 2.1
Name: aiida-core
Version: 1.2.0
Summary: UNKNOWN
Home-page: http://www.aiida.net/
Author: The AiiDA team
Author-email: developers@aiida.net
License: MIT License
Description: # <img src="docs/source/images/AiiDA_transparent_logo.png" alt="AiiDA" width="200"/>
        
        AiiDA (www.aiida.net) is a workflow manager for computational science with a strong focus on provenance, performance and extensibility.
        
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        |Latest release| [![PyPI version](https://badge.fury.io/py/aiida-core.svg)](https://badge.fury.io/py/aiida-core) [![conda-forge](https://img.shields.io/conda/vn/conda-forge/aiida-core.svg?style=flat)](https://anaconda.org/conda-forge/aiida-core) [![PyPI pyversions](https://img.shields.io/pypi/pyversions/aiida-core.svg)](https://pypi.python.org/pypi/aiida-core/) |
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        |Activity| [![PyPI-downloads](https://img.shields.io/pypi/dm/aiida-core.svg?style=flat)](https://pypistats.org/packages/aiida-core) [![Commit Activity](https://img.shields.io/github/commit-activity/m/aiidateam/aiida-core.svg)](https://github.com/aiidateam/aiida-core/pulse)
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        ## Features
        
         -   **Workflows:** Write complex, auto-documenting workflows in
             python, linked to arbitrary executables on local and remote
             computers. The event-based workflow engine supports tens of
             thousands of processes per hour with full checkpointing.
         -   **Data provenance:** Automatically track inputs, outputs & metadata
             of all calculations in a provenance graph for full
             reproducibility. Perform fast queries on graphs containing
             millions of nodes.
         -   **HPC interface:** Move your calculations to a different computer
             by changing one line of code. AiiDA is compatible with schedulers
             like [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/support/knowledgecenter/SSETD4/product_welcome_platform_lsf.html)
             out of the box.
         -   **Plugin interface:** Extend AiiDA with [plugins](https://aiidateam.github.io/aiida-registry/) for new simulation codes (input generation & parsing), data types, schedulers, transport modes and more.
         -   **Open Science:** Export subsets of your provenance graph and share them with peers or make them available online for everyone
             on the [Materials Cloud](https://www.materialscloud.org).
         -   **Open source:** AiiDA is released under the [MIT open source license](LICENSE.txt)
        
        ## Installation
        
        Please see AiiDA's [documentation](https://aiida-core.readthedocs.io/en/latest/).
        
        ## How to contribute [![PRs Welcome](https://img.shields.io/badge/PRs-welcome-brightgreen.svg?style=flat-square)](http://makeapullrequest.com) [![GitHub issues by-label](https://img.shields.io/github/issues/aiidateam/aiida-core/good%20first%20issue)](https://github.com/aiidateam/aiida-core/issues?q=is%3Aissue+is%3Aopen+label%3A%22good+first+issue%22)
        
        The AiiDA team appreciates help from a wide range of different backgrounds.
        Small improvements of the documentation or minor bug fixes are always welcome.
        
        Please see the [Contributor wiki](https://github.com/aiidateam/aiida-core/wiki) on how to get started.
        
        ## How to cite
        
        If you use AiiDA in your research, please consider citing the AiiDA paper:
        
        > Giovanni Pizzi, Andrea Cepellotti, Riccardo Sabatini, Nicola Marzari,
        > and Boris Kozinsky, *AiiDA: automated interactive infrastructure and
        > database for computational science*, Comp. Mat. Sci 111, 218-230
        > (2016); <https://doi.org/10.1016/j.commatsci.2015.09.013>;
        > <http://www.aiida.net>.
        
        ## License
        
        AiiDA is distributed under the MIT open source license (see [`LICENSE.txt`](LICENSE.txt)).
        
        For a list of other open source components included in AiiDA, see [`open_source_licenses.txt`](open_source_licenses.txt).
        
        ## Acknowledgements
        
        This work is supported by:
        * the [MARVEL National Centre for Competency in Research](http://nccr-marvel.ch) funded by the [Swiss National Science Foundation](http://www.snf.ch/en);
        * the [MaX European Centre of Excellence](http://www.max-centre.eu/) funded by the Horizon 2020 EINFRA-5 program, Grant No. 676598;
        * the [swissuniversities P-5 project "Materials Cloud"](https://www.materialscloud.org/swissuniversities).
        
        <img src="docs/source/images/MARVEL.png" alt="MARVEL" style="padding:10px;" width="150"/>
        <img src="docs/source/images/MaX.png" alt="MaX" style="padding:10px;" width="250"/>
        <img src="docs/source/images/swissuniversities.png" alt="swissuniversities" style="padding:10px;" width="250"/>
        
Platform: UNKNOWN
Classifier: Framework :: AiiDA
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: POSIX :: Linux
Classifier: Operating System :: MacOS :: MacOS X
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3.5
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Topic :: Scientific/Engineering
Requires-Python: >=3.5
Description-Content-Type: text/markdown
Provides-Extra: ssh_kerberos
Provides-Extra: rest
Provides-Extra: docs
Provides-Extra: atomic_tools
Provides-Extra: notebook
Provides-Extra: testing
Provides-Extra: dev_precommit
Provides-Extra: bpython
Provides-Extra: all
