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