topspin_python/setup.sh at master · Tonystarkw12/topspin_python · GitHub

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#!/bin/bash
# Installation script for TopSpin Python API Wrapper
# This script sets up the Python environment and installs dependencies

echo "========================================"
echo "TopSpin Python API Wrapper - Setup"
echo "========================================"
echo ""

# Check if uv is installed
if ! command -v uv &> /dev/null; then
    echo "[ERROR] uv is not installed!"
    echo "Please install uv first:"
    echo "  pip install uv"
    echo ""
    exit 1
fi

echo "[1/4] Installing Python dependencies..."
uv pip install numpy xarray matplotlib adjustText
if [ $? -ne 0 ]; then
    echo "[ERROR] Failed to install Python dependencies"
    exit 1
fi
echo "[OK] Python dependencies installed"
echo ""

echo "[2/4] Installing TopSpin API package..."
# Install TopSpin API from TopSpin installation directory
if [ -f "D:/topspin/python/examples/bruker_nmr_api-2.1.0-py3-none-any.whl" ]; then
    uv pip install "D:/topspin/python/examples/bruker_nmr_api-2.1.0-py3-none-any.whl"
    if [ $? -ne 0 ]; then
        echo "[ERROR] Failed to install TopSpin API package"
        exit 1
    fi
    echo "[OK] TopSpin API package installed"
elif [ -f "/opt/topspin/python/examples/bruker_nmr_api-2.1.0-py3-none-any.whl" ]; then
    uv pip install "/opt/topspin/python/examples/bruker_nmr_api-2.1.0-py3-none-any.whl"
    if [ $? -ne 0 ]; then
        echo "[ERROR] Failed to install TopSpin API package"
        exit 1
    fi
    echo "[OK] TopSpin API package installed"
else
    echo "[WARNING] TopSpin API package not found at D:/topspin/python/examples/"
    echo "Please ensure TopSpin is installed at D:/topspin"
    echo "Or modify the path in this script to match your TopSpin installation."
fi
echo ""

echo "[3/4] Creating example pulse sequence for testing..."
mkdir -p test_pulseprogram

echo "========================================"
echo "Installation completed successfully!"
echo "========================================"
echo ""
echo "Next steps:"
echo "  1. Activate the virtual environment:"
echo "     source .venv/bin/activate"
echo ""
echo "  2. Test the installation:"
echo "     python topspin_api.py"
echo ""
echo "  3. Run examples:"
echo "     python example_pulse_sequence.py"
echo ""
echo "  4. Open a pulse sequence:"
echo "     python example_pulse_sequence.py D:/topspin/examdata/Cyclosporine/1/pulseprogram"
echo ""