Installation

Installation#

CADET-RDM can be installed using:

pip install cadet-rdm

We strongly recommend using a dedicated environment to install CADET-RDM. See A guide to reproducible Python environments and CADET installations for general background.

Installation using conda or mamba#

For use with mamba or conda, create an environment file rdm_environment.yml:

name: rdm_example
channels:
  - conda-forge
dependencies:
  - python=3.11
  - conda
  - pip
  - pip:
      - cadet-rdm

Create the environment with:

conda env create -f rdm_environment.yml

Installation using pip#

For use with pip, create a rdm_requirements.txt file:

python==3.11
cadet-rdm>=1.0.1

Install the dependencies with:

pip install -r rdm_requirements.txt

Developer installation#

To install a development version of CADET-RDM from source, clone the repository and install it in editable mode.

git clone git@github.com:cadet/CADET-RDM.git
cd CADET-RDM
pip install -e .

Cloning via SSH is recommended. Alternatively, HTTPS can be used with https://github.com/cadet/CADET-RDM.git.

This installs CADET-RDM in editable mode, so local code changes take effect immediately without reinstalling the package. This setup is recommended for development, debugging, or contributing to CADET-RDM.

Git LFS#

Running CADET-RDM requires Git LFS, which must be installed separately.

  • Ubuntu/Debian:

    sudo apt-get install git-lfs
git lfs install

  • macOS (with Homebrew):

    brew install git-lfs
git lfs install

  • Windows:

    Download and install Git LFS from https://git-lfs.com

Extending Git LFS scope#

Several common data types are tracked with Git LFS by default:

*.jpg, *.png, *.xlsx, *.h5, *.ipynb, *.pdf, *.docx, *.zip, *.html

Additional file types can be added if required.

From Python:

from cadetrdm import ProjectRepo

repo = ProjectRepo()
repo.output_repo.add_filetype_to_lfs("*.npy")

From the command line, run the following command inside the output repository:

rdm lfs add *.npy
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