dockerfile added

additional codes/streamlit_app_dockerfile

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+# Multi-stage build for PACKMAN Streamlit Web Application
+FROM python:3.10-slim AS builder
+
+# Install system dependencies
+RUN apt-get update && apt-get install -y --no-install-recommends \
+    build-essential \
+    git \
+    && rm -rf /var/lib/apt/lists/*
+
+# Create virtual environment
+RUN python -m venv /opt/venv
+ENV PATH="/opt/venv/bin:$PATH"
+
+# Copy requirements first for better caching
+RUN pip install --no-cache-dir --upgrade pip setuptools wheel && \
+    pip install --no-cache-dir py-packman streamlit stmol py3Dmol ipython_genutils
+
+# Final stage
+FROM python:3.10-slim
+
+# Install runtime dependencies only
+RUN apt-get update && apt-get install -y --no-install-recommends \
+    libgomp1 \
+    && rm -rf /var/lib/apt/lists/*
+
+# Copy virtual environment from builder
+COPY --from=builder /opt/venv /opt/venv
+ENV PATH="/opt/venv/bin:$PATH"
+
+# Set working directory
+WORKDIR /app
+
+# Copy application code
+COPY streamlit_app.py /app/
+
+# Create non-root user for security
+RUN useradd -m -u 1000 streamlit && \
+    chown -R streamlit:streamlit /app
+
+USER streamlit
+
+# Expose Streamlit port
+EXPOSE 8501
+
+# Run Streamlit app
+CMD ["streamlit", "run", "streamlit_app.py", \
+     "--server.port=8501", \
+     "--server.address=0.0.0.0", \
+     "--server.headless=true", \
+     "--logger.level=info"]