sphuber/aiida-shell

Issues

• Bug: Default submit script is overridden by `RemoteData`

  #58 opened 5 months ago by hujay2019
  8

• Output filenames starting with numbers cause an exception since they are not valid Python identifiers

  #92 opened 7 months ago by sphuber
  2

• The pickled object could not be unpickled..

  #91 opened 7 months ago by superstar54
  0

• How to specify RemoteData as output?

  #90 opened 7 months ago by bilke
  2

• How to use shell keywords in command?

  #89 opened 7 months ago by bilke
  4

• Control caching

  #81 opened 10 months ago by giovannipizzi
  4

• How to specify output file which is not in the jobs working directory?

  #86 opened 8 months ago by bilke
  2

• custom output parsing with running on specific computer leads to pickling error

  #82 opened 9 months ago by bilke
  11

• Allow for relative paths in the code (or adapt prepare_code)

  #74 opened 9 months ago by giovannipizzi
  4

• Set `default_mpiprocs_per_machine` on `localhost` computer if it already exists and is not set

  #78 opened 10 months ago by sphuber
  0

• Add a check that input files are not overwritten by output files

  #68 opened 10 months ago by sphuber
  0

• Consider changing the filenames of the `stdout` and `stderr` redirects and the `status` file

  #1 opened 3 years ago by sphuber
  2

• Allow skipping making the command executable absolute in `launch_shell_job`

  #72 opened 10 months ago by sphuber
  0

• Got error when running example from aiida-shell doc

  #65 opened a year ago by superstar54
  9

• add 'limitations' section to intro

  #61 opened a year ago by ltalirz
  8

• `launch_shell_job` excepts when used with `submit=True` inside a workflow

  #37 opened 2 years ago by sphuber
  0

• `launch_shell_job`: Allow specifying `arguments` as a single string

  #35 opened 2 years ago by sphuber
  0

• Provide functionality to add a custom `Parser` on the fly

  #6 opened 2 years ago by sphuber
  0

• Contents of `arguments` argument to `launch_shell_job` are not validated

  #23 opened 2 years ago by sphuber
  0

• Provide a way to specify the stdin file handle

  #25 opened 2 years ago by sphuber
  0

• Use the `filename` of a `SinglefileData` node as the filename in the working directory before falling back to the key in the `nodes` dictionary

  #24 opened 2 years ago by sphuber
  0

• Consider using a custom `Code` subclass for codes automatically created by `launch_shell_job`

  #3 opened 2 years ago by sphuber
  0

• See if the `process_label` can be more specific

  #7 opened 2 years ago by sphuber
  2

• Add support for Python 3.11

  #11 opened 2 years ago by sphuber
  0

• Make `ShellJob`s submittable to the daemon

  #2 opened 2 years ago by sphuber
  0

• Add option to suppress the warnings in `launch_shell_job`

  #9 opened 2 years ago by sphuber
  0

• Add exit code if the `stderr` is not empty

  #14 opened 2 years ago by sphuber
  0

• Attaching output files will fail if the filenames contain characters that are not

  #8 opened 2 years ago by sphuber
  0

• Add support for addtional node types besides `SinglefileData` as input nodes

  #4 opened 3 years ago by sphuber
  1