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sphuber Ensure the type of exit codes is None, int or ExitCode (#1681)
There was a bug in the execute method of the Waiting state of the
JobProcess, that in the case of a TransportException, which would
occur in the case of a SUBMISSIONFAILED or RETRIEVALFAILED, the
returned exit code was a JobCalculationExitStatus enum instance
and not the required integer or ExitCode. This would except the
process due to the check in the Process.on_finish call.

A similar problem existed in the execmanager.parse_results method
which also did not guarantee the return of an exit code of a valid
type. We now make sure to convert the bool, integer or ExitCode
which can be returned by parse_results is converted to an ExitCode
before it is returned.
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README.rst

AiiDA

Automated Interactive Infrastructure and Database for Computational Science

AiiDA is a sophisticated framework designed from scratch to be a flexible and scalable infrastructure for computational science. Being able to store the full data provenance of each simulation, and based on a tailored database solution built for efficient data mining implementations, AiiDA gives the user the ability to interact seamlessly with any number of HPC machines and codes thanks to its flexible plugin interface, together with a powerful workflow engine for the automation of simulations.

The official homepage is at http://www.aiida.net

The code is hosted on GitHub at https://github.com/aiidateam/aiida_core

The documentation is hosted on Read The Docs at:

Which branch should you use?

  • Users: the stable version of the code is in the master branch
  • Developers: the procedure to contribute through pull-requests can be found in the wiki

How to cite AiiDA

If you use AiiDA in your research, please consider citing the following work:

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); http://dx.doi.org/10.1016/j.commatsci.2015.09.013; http://www.aiida.net.

License

The terms of the AiiDA license can be found in the LICENSE.txt file.