Skip to content

[Suggestion] Add option to execute Python Functions in separate conda environments #119

Description

@jan-janssen

We already have the technical capabilities in https://github.com/pyiron/conda_subprocess which is integrated in pyiron. If the other frameworks would also support executing Python functions in separate conda environments, then we could add a corresponding parameter in the node definition. Alternatively, for the workflow frameworks which do not provide the option to execute Python functions in a separate conda environment we could dynamically wrap the Python functions to add this functionality, but it might interfere with the decorator of the specific workflow framework.

Activity

  1. JaGeo commented on May 29, 2025

    @JaGeo
    Contributor

    @jan-janssen I have been discussing this question here with @gpetretto: Matgenix/jobflow-remote#303
    To me, this is again looks like something jobflow would solve at the executing step and not the definition step of the workflow, i.e., we would assign conda environments in jobflow-remote after we have defined the workflow in jobflow.

  2. JaGeo commented on Jul 25, 2025

    @JaGeo
    Contributor

    @jan-janssen An update here: it is possible within jobflow remote to set different environments for different jobs but again when executing the workflow.
    see Matgenix/jobflow-remote#303 (comment)

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Metadata

Metadata

Assignees

No one assigned

    Labels

    No labels
    No labels

    Type

    No type

    Projects

    No projects

      Milestone

      No milestone

      Relationships

      None yet

      Development

      No branches or pull requests

      Issue actions