Installation#

Attention

Requires Python 3.9+ and pip installed.

  • Create a new virtual environment using either venv, pyenv, conda, etc. See below for an example.

python -m venv .sed-venv

  • Activate your environment:

# On macOS/Linux
source .sed-venv/bin/activate

# On Windows
.sed-venv\Scripts\activate

  • Install sed, distributed as sed-processor on PyPI:

pip install sed-processor[all]

  • If you do not use Jupyter Notebook or Jupyter Lab, you can skip the installing those dependencies:

pip install sed-processor

Note

If you intend to work with Jupyter notebooks, it is helpful to install a Jupyter kernel for your environment. This can be done, once your environment is activated, by typing:

python -m ipykernel install --user --name=sed_kernel

Development version#

Attention

Requires Git, Python 3.9+ and pip installed.

  1. Clone the repository:

git clone https://github.com/OpenCOMPES/sed.git
cd sed

  1. Create and activate a virtual environment:

# Create a virtual environment
python -m venv .sed-dev

# Activate the virtual environment
# On macOS/Linux
source .sed-dev/bin/activate

# On Windows
.sed-dev\Scripts\activate

  1. Install the repository in editable mode with all dependencies:

pip install -e .[all]

Now you have the development version of sed installed in your local environment. Feel free to make changes and submit pull requests.