Installation

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Option A: Install into a new Anaconda environment:

For Windows, Linux, and Intel-based Mac:

1: Install the ormir_xct Anaconda environment from the YAML file:
conda env create -f environment.yml

2: Activate and use the ormir_xct environment:
conda activate ormir_xct

For Apple Silicon Mac (M-chips):

1: Install the ormir_xct Anaconda environment, specifying macOS architecture:
CONDA_SUBDIR=osx-64 conda create -n ormir_xct python=3.11.11 pip

2: Activate the ormir_xct environment:
conda activate ormir_xct

3: Tell conda to always use the macOS architecture:
conda env config vars set CONDA_SUBDIR=osx-64

4: Deactivate and reactivate the environment:
conda deactivate
conda activate ormir_xct

5: Install the required dependencies using pip:
pip install -r requirements.txt

Option B: Install into an existing Anaconda environment:

1: Activate your environment:
conda activate my_env

2: Install ormir-xct from PyPi
pip install ormir-xct