linuxrider/aiida-sshonly

aiida-sshonly

AiiDA plugin adding a sshonly transport option, using only SSH to transfer files, avoiding SFTP, in case it's blocked or non functional on a remote system

Features

Provides a new 'sshonly' transport option when configuring a computer in AiiDA. Uses SSH and shell commands to emulate SFTP commands used in AiiDA.

Known limitation : only works with text files as of 0.1.0

Installation

pip install aiida-sshonly
reentry scan
verdi plugin list aiida.transports  # should now show your calclulation plugins

Usage

Here goes a complete example of how to submit a test calculation using this plugin.

A quick demo of how to submit a calculation:

verdi daemon start     # make sure the daemon is running
cd examples
./example_01.py        # run test calculation
verdi process list -a  # check record of calculation

The plugin also includes verdi commands to inspect its data types:

verdi data sshonly list
verdi data sshonly export <PK>

Development

git clone https://github.com/adegomme/aiida-sshonly .
cd aiida-sshonly
pip install -e .[pre-commit,testing]  # install extra dependencies
pre-commit install  # install pre-commit hooks
pytest -v  # discover and run all tests

See the developer guide for more information.

License

MIT