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# Use Python 3.9 slim image as base, which is a good choice for stability and size.
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FROM python:3.9-slim
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# Set the working directory inside the container
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WORKDIR /app
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# Install system dependencies required for RDKit and other graphical libraries.
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# This is a crucial step for rdkit-pypi to work correctly in a Linux container.
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RUN apt-get update && apt-get install -y \
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gcc \
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g++ \
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libxext6 \
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libxrender1 \
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&& rm -rf /var/lib/apt/lists/*
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# Copy the requirements file first to leverage Docker's layer caching.
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# The Docker build will only re-run the pip install step if this file changes.
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COPY requirements.txt .
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# Install the Python dependencies specified in requirements.txt
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RUN pip install --no-cache-dir -r requirements.txt
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# Copy the rest of your application code into the container
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COPY . .
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# Expose the port that Streamlit will run on. Hugging Face Spaces typically uses 7860.
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EXPOSE 7860
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# Set environment variables for Streamlit to run in a headless environment.
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ENV STREAMLIT_SERVER_ADDRESS=0.0.0.0
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ENV STREAMLIT_SERVER_PORT=7860
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ENV STREAMLIT_SERVER_HEADLESS=true
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ENV STREAMLIT_BROWSER_GATHER_USAGE_STATS=false
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# The command to run your Streamlit application when the container starts.
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# It points to the app.py file and sets the server address and port.
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CMD ["streamlit", "run", "app.py", "--server.port=7860", "--server.address=0.0.0.0"]
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