#!/bin/bash # Define the name of the environment ENV_NAME="multiphase_chemistry_env" # 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, resolving from conda-forge and defaults $CONDA_COMMAND create -y -n "$ENV_NAME" -c conda-forge -c defaults python=3.11 \ jupyter numpy h5py pandas matplotlib plotly=5.24 scipy pip # Check if the environment was successfully created if [ $? -ne 0 ]; then echo "Failed to create the environment '$ENV_NAME'. Please check the logs above for details." exit 1 fi # Activate the new environment if source activate "$ENV_NAME" 2>/dev/null || conda activate "$ENV_NAME" 2>/dev/null; then echo "Environment '$ENV_NAME' activated successfully." else echo "Failed to activate the environment '$ENV_NAME'. Please check your conda setup." exit 1 fi # Install additional pip packages only if the environment is activated echo "Installing additional pip packages..." pip install pybis==1.35 igor2 ipykernel sphinx pip install dash dash-bootstrap-components pip install graphviz # Check if pip installations were successful if [ $? -ne 0 ]; then echo "Failed to install pip packages. Please check the logs above for details." exit 1 fi # Optional: Export the environment to a YAML file (commented out) # $CONDA_COMMAND env export -n "$ENV_NAME" > "$ENV_NAME-environment.yaml" # Print success message echo "Environment '$ENV_NAME' created and configured successfully." # echo "Environment configuration saved to '$ENV_NAME-environment.yaml'."