sphuber / aiida-shell

AiiDA plugin that makes running shell commands easy.

sphuber/aiida-shell Issues

Bug: Default submit script is overridden by `RemoteData`
Closed a month ago8
Output filenames starting with numbers cause an exception since they are not valid Python identifiers
Closed 3 months ago2
The pickled object could not be unpickled..
Updated 3 months ago
How to specify RemoteData as output?
Closed 3 months ago2
How to use shell keywords in command?
Closed 4 months ago4
Control caching
Closed 6 months ago4
How to specify output file which is not in the jobs working directory?
Closed 5 months ago2
custom output parsing with running on specific computer leads to pickling error
Closed 5 months ago11
Allow for relative paths in the code (or adapt prepare_code)
Closed 5 months ago4
Set `default_mpiprocs_per_machine` on `localhost` computer if it already exists and is not set
Closed 6 months ago
Add a check that input files are not overwritten by output files
Closed 6 months ago
Consider changing the filenames of the `stdout` and `stderr` redirects and the `status` file
Updated 6 months ago2
Allow skipping making the command executable absolute in `launch_shell_job`
Closed 6 months ago
Got error when running example from aiida-shell doc
Closed 7 months ago9
add 'limitations' section to intro
Closed 8 months ago8
`launch_shell_job` excepts when used with `submit=True` inside a workflow
Closed a year ago
`launch_shell_job`: Allow specifying `arguments` as a single string
Closed a year ago
Provide functionality to add a custom `Parser` on the fly
Closed a year ago
Contents of `arguments` argument to `launch_shell_job` are not validated
Closed 2 years ago
Provide a way to specify the stdin file handle
Closed 2 years ago
Use the `filename` of a `SinglefileData` node as the filename in the working directory before falling back to the key in the `nodes` dictionary
Closed 2 years ago
Consider using a custom `Code` subclass for codes automatically created by `launch_shell_job`
Closed 2 years ago
See if the `process_label` can be more specific
Closed 2 years ago2
Add support for Python 3.11
Closed 2 years ago
Make `ShellJob`s submittable to the daemon
Closed 2 years ago
Add option to suppress the warnings in `launch_shell_job`
Closed 2 years ago
Add exit code if the `stderr` is not empty
Closed 2 years ago
Attaching output files will fail if the filenames contain characters that are not
Closed 2 years ago
Add support for addtional node types besides `SinglefileData` as input nodes
Closed 2 years ago1