Command line interface (CLI)

Command line interface (CLI)#

The command line interface provides access to all CADET-RDM functionality via the rdm command. It is suited for scripted workflows, batch execution, and automation.

Repository initialization#

Create a new project repository or convert an existing directory into a CADET-RDM repository:

rdm init <path_to_repo> [output_directory_name]

Options:

  • If no <path_to_repo> is provided, the repository is initialized in the root directory without creating a new directory.

  • If <path_to_repo> is given as a relative path (e.g. “repository_name”), a new directory with that name is created inside the root directory.

  • If <path_to_repo> is given as an absolute path (e.g. C:\Users\me\projects\myrepo), a new directory is created at the specified location.

Optionally, an [output_directory_name] can be given. Otherwise, it defaults to output.

Cookiecutter support#

Initialize a repository from a Cookiecutter template:

rdm init <path_to_repo> --cookiecutter <template_url>

If <path_to_repo> is provided, it overrides any directory name chosen in the Cookiecutter prompt. If omitted, initialization happens in the current working directory.

Handling results with CADET-RDM#

Running code and tracking results#

Each execution creates a new output branch containing the generated results and associated metadata.

Run a Python script and track all generated results:

rdm run python <path/to/script.py> "commit message for the results"

Run an arbitrary command, for example a bash script:

rdm run command "bash run_simulation.sh" "commit message for the results"

The command must be enclosed in quotes.

Staging, committing, and pushing changes#

Check repository consistency:

rdm check

Stage changes:

rdm add <filepath>

Commit staged changes (option: setting -a will stage all changes and commit them):

rdm commit -m <message> [-a]

Push both project and output repositories:

rdm push

Reusing results from earlier runs#

Each run is stored in an output branch named:

<timestamp>_<active_project_branch>_<project_repo_hash[:7]>

Cache results locally:

rdm data cache <branch_name>

Using results from another repository#

Fetch repositories listed in .cadet-rdm-cache.json:

rdm data fetch

Remote repositories#

Cloning repositories#

Clone an existing CADET-RDM repository:

rdm clone <project_url> <destination_path>

The destination directory must be empty.

Adding existing remotes#

Add remotes manually in both repositories:

rdm remote add git@<my_git_server.foo>:<project>.git
cd output
rdm remote add git@<my_git_server.foo>:<project>_output.git

Creating remotes automatically#

Create project and output remotes using the GitHub or GitLab APIs:

rdm remote create <url> <namespace> <name> <username>

Example:

rdm remote create https://github.com/ githubusers_workproject Workproject githubuser

The output repository name is derived automatically by appending _output to the project repository name.

Migrating repositories#

Update the origin remote for both repositories and push:

rdm remote set-url origin git@<my_git_server.foo>:<project>.git
cd output
rdm remote set-url origin git@<my_git_server.foo>:<project>_output.git
cd ..
rdm push
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