aiida-shell

AiiDA plugin that makes running shell commands easy.

status beta

AiiDA >=2.6.1,<3.0

General information

Install pip install aiida-shell

Documentation No documentation provided by the package author.

Python import import aiida_shell

Latest version 0.8.2

Released 2026-01-14

W009: Prefix 'core' does not follow naming convention.

Click any code (W001, E001…) to jump to troubleshooting instructions .

Calculations 1 Parsers 1 Data 3

CalcJobs and calculation functions aiida.calculations

core.shell

class: aiida_shell.calculations.shell:ShellJob

Implementation of :class:`aiida.engine.CalcJob` to run a simple shell command.

Input	Required	Valid types	Description
`code`	true	`AbstractCode, NoneType`	The `Code` to use for this job. This input is required, unless the `remote_folder` input is specified, which means an existing job is being imported and no code will actually be run.
`arguments`	false	`List, NoneType`
`filenames`	false	`Dict, NoneType`
`metadata`	false
`monitors`	false	`Dict`	Add monitoring functions that can inspect output files while the job is running and decide to prematurely terminate the job.
`nodes`	false	`Data`
`outputs`	false	`List, NoneType`
`parser`	false	`EntryPointData, PickledData, NoneType`
`remote_folder`	false	`RemoteData, NoneType`	Remote directory containing the results of an already completed calculation job without AiiDA. The inputs should be passed to the `CalcJob` as normal but instead of launching the actual job, the engine will recreate the input files and then proceed straight to the retrieve step where the files of this `RemoteData` will be retrieved as if it had been actually launched through AiiDA. If a parser is defined in the inputs, the results are parsed and attached as output nodes as usual.

Output	Required	Valid types	Description
`remote_folder`	true	`RemoteData`	Input files necessary to run the process will be stored in this folder node.
`retrieved`	true	`FolderData`	Files that are retrieved by the daemon will be stored in this node. By default the stdout and stderr of the scheduler will be added, but one can add more by specifying them in `CalcInfo.retrieve_list`.
`remote_stash`	false	`RemoteStashData`	Contents of the `stash.source_list` option are stored in this remote folder after job completion.

Exit status	Message
1	The process has failed with an unspecified error.
2	The process failed with legacy failure mode.
10	The process returned an invalid output.
11	The process did not register a required output.
100	The process did not have the required `retrieved` output.
110	The job ran out of memory.
120	The job ran out of walltime.
131	The specified account is invalid.
140	The node running the job failed.
150	{message}
300	Exit status could not be determined: exit status file was not retrieved.
301	Exit status could not be determined: exit status file does not contain a valid integer.
302	The stdout file was not retrieved.
303	One or more output files defined in the `outputs` input were not retrieved: {missing_filepaths}.
310	Callable specified in the `parser` input excepted: {exception}.
400	The command exited with a non-zero status: {status} {stderr}.
410	The command exited with a zero status but the stderr was not empty.

Data node types aiida.data

CalcJob parsers aiida.parsers