diff --git a/environment.yml b/environment.yml index 59efa08..1a679f6 100644 --- a/environment.yml +++ b/environment.yml @@ -1,4 +1,5 @@ -name: multiphase_chemistry_env +name: PythonEnv5505v2 +prefix: ./envs/PythonEnv5505v2 # Custom output folder channels: - conda-forge - defaults @@ -8,15 +9,11 @@ dependencies: - numpy - pandas - matplotlib - - plotly=5.18 -# - openssl + - plotly=5.24 - scipy -# I installed openpyxl through anaconda manager from their default curated channels - - openpyxl=3.0.10 - pip - pip: - - h5py==3.10 - - pybis==1.35 - - igor2 - - ipykernel -# - openai + - h5py==3.10 + - pybis==1.35 + - igor2 + - ipykernel diff --git a/setup_env.sh b/setup_env.sh new file mode 100644 index 0000000..e207998 --- /dev/null +++ b/setup_env.sh @@ -0,0 +1,29 @@ +#!/bin/bash + +# Define the name and location of the environment +ENV_NAME="PythonEnv5505" +ENV_PATH="./envs/$ENV_NAME" # Define a custom output folder + +# Check if mamba is available and use it instead of conda for faster installation +if command -v mamba &> /dev/null; then + CONDA_COMMAND="mamba" +else + CONDA_COMMAND="conda" +fi + +# Create the conda environment with all dependencies +$CONDA_COMMAND create -y -p "$ENV_PATH" python=3.11 \ + jupyter numpy pandas matplotlib plotly=5.24 scipy pip + +# Activate the new environment +source activate "$ENV_PATH" || conda activate "$ENV_PATH" + +# Install pip packages in one go to avoid repeated initializations +pip install h5py==3.10 pybis==1.35 igor2 ipykernel + +# Export the environment to a YAML file +$CONDA_COMMAND env export --prefix "$ENV_PATH" > "$ENV_PATH/environment.yaml" + +# Print success message +echo "Environment '$ENV_NAME' created successfully at '$ENV_PATH'." +echo "Environment configuration saved to '$ENV_PATH/environment.yaml'."