Merge pull request #9 from AIComputing101/coketaste/docker

Add unified docker

Author: coketaste

docker/Dockerfile

@@ -0,0 +1,161 @@
+# Quantum Computing 101 - Unified Multi-Architecture Dockerfile
+# Supports CPU, NVIDIA GPU (CUDA), and AMD GPU (ROCm)
+# Best practices: Multi-stage build, build args, minimal layers
+
+# Build arguments for variant selection
+ARG VARIANT=cpu
+ARG PYTORCH_VERSION=2.8.0
+ARG CUDA_VERSION=12.9
+ARG CUDNN_VERSION=9
+
+# =============================================================================
+# Stage 1: Base Image Selection
+# =============================================================================
+FROM pytorch/pytorch:${PYTORCH_VERSION}-cuda${CUDA_VERSION}-cudnn${CUDNN_VERSION}-devel AS base-nvidia
+FROM rocm/pytorch:latest AS base-amd
+FROM python:3.12-slim AS base-cpu
+
+# Select appropriate base based on variant
+FROM base-${VARIANT} AS base
+
+# =============================================================================
+# Stage 2: Common Setup - System Dependencies
+# =============================================================================
+FROM base AS system-deps
+
+# Metadata
+LABEL maintainer="Quantum Computing 101"
+LABEL version="3.0"
+LABEL description="Quantum computing educational platform with multi-GPU support"
+
+# Environment variables
+ENV DEBIAN_FRONTEND=noninteractive \
+    PYTHONUNBUFFERED=1 \
+    PYTHONDONTWRITEBYTECODE=1 \
+    MPLBACKEND=Agg \
+    QC101_CONTAINER=1 \
+    PIP_NO_CACHE_DIR=1 \
+    PIP_DISABLE_PIP_VERSION_CHECK=1
+
+# Install common system dependencies
+RUN apt-get update && apt-get install -y --no-install-recommends \
+    gcc \
+    g++ \
+    make \
+    git \
+    curl \
+    wget \
+    vim \
+    htop \
+    ca-certificates \
+    && rm -rf /var/lib/apt/lists/*
+
+# =============================================================================
+# Stage 3: Python Environment Setup
+# =============================================================================
+FROM system-deps AS python-setup
+
+# Upgrade pip and install build tools
+RUN pip install --upgrade pip setuptools wheel
+
+# Create non-root user for security
+RUN useradd --create-home --shell /bin/bash --uid 1000 qc101
+
+WORKDIR /home/qc101/quantum-computing-101
+
+# =============================================================================
+# Stage 4: Dependencies Installation (CPU Variant)
+# =============================================================================
+FROM python-setup AS deps-cpu
+
+# Copy requirements
+COPY docker/requirements/base.txt /tmp/requirements/base.txt
+COPY docker/requirements/cpu.txt /tmp/requirements/cpu.txt
+
+# Install base dependencies
+RUN pip install -r /tmp/requirements/base.txt
+
+# Install CPU-specific dependencies
+RUN pip install -r /tmp/requirements/cpu.txt
+
+# =============================================================================
+# Stage 5: Dependencies Installation (NVIDIA GPU Variant)
+# =============================================================================
+FROM python-setup AS deps-nvidia
+
+# NVIDIA-specific environment variables
+ENV NVIDIA_VISIBLE_DEVICES=all \
+    NVIDIA_DRIVER_CAPABILITIES=compute,utility \
+    CUDA_VISIBLE_DEVICES=all \
+    QISKIT_IN_PARALLEL=TRUE
+
+# Copy requirements
+COPY docker/requirements/base.txt /tmp/requirements/base.txt
+COPY docker/requirements/gpu-nvidia.txt /tmp/requirements/gpu-nvidia.txt
+
+# Install base dependencies (excluding qiskit-aer to avoid conflicts)
+RUN sed '/^qiskit-aer/d' /tmp/requirements/base.txt > /tmp/requirements/base-no-aer.txt && \
+    pip install -r /tmp/requirements/base-no-aer.txt
+
+# Install NVIDIA-specific dependencies (includes qiskit-aer-gpu)
+RUN pip install -r /tmp/requirements/gpu-nvidia.txt
+
+# =============================================================================
+# Stage 6: Dependencies Installation (AMD GPU Variant)
+# =============================================================================
+FROM python-setup AS deps-amd
+
+# ROCm-specific environment variables
+ENV ROCM_VISIBLE_DEVICES=all \
+    HIP_VISIBLE_DEVICES=all
+
+# Copy requirements
+COPY docker/requirements/base.txt /tmp/requirements/base.txt
+COPY docker/requirements/gpu-amd.txt /tmp/requirements/gpu-amd.txt
+
+# Install base dependencies
+RUN pip install -r /tmp/requirements/base.txt
+
+# Install AMD-specific dependencies
+RUN pip install -r /tmp/requirements/gpu-amd.txt
+
+# =============================================================================
+# Stage 7: Application Setup (Unified)
+# =============================================================================
+FROM deps-${VARIANT} AS app-setup
+
+# Copy application code
+COPY --chown=qc101:qc101 . /home/qc101/quantum-computing-101/
+
+# Install the package in development mode
+RUN pip install -e .
+
+# Create output directory
+RUN mkdir -p /home/qc101/quantum-computing-101/outputs && \
+    chown -R qc101:qc101 /home/qc101/quantum-computing-101/outputs
+
+# =============================================================================
+# Stage 8: Runtime Image (Final)
+# =============================================================================
+FROM app-setup AS runtime
+
+# Switch to non-root user
+USER qc101
+
+# Set working directory
+WORKDIR /home/qc101/quantum-computing-101/examples
+
+# Health check
+HEALTHCHECK --interval=30s --timeout=15s --start-period=10s --retries=3 \
+    CMD python -c "import qiskit; print('✅ Container healthy')" || exit 1
+
+# Resource optimizations
+ENV OMP_NUM_THREADS=8 \
+    MKL_NUM_THREADS=8
+
+# Entrypoint script
+COPY --chown=qc101:qc101 docker/entrypoint.sh /home/qc101/entrypoint.sh
+RUN chmod +x /home/qc101/entrypoint.sh
+
+ENTRYPOINT ["/home/qc101/entrypoint.sh"]
+CMD ["bash"]