Add unified docker #9
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Pull Request Overview
This PR introduces a unified Docker architecture for the Quantum Computing 101 project, consolidating multiple separate Dockerfiles and build scripts into a single, maintainable solution while updating the requirements structure for better organization.
- Unified multi-stage Dockerfile supporting CPU, NVIDIA GPU, and AMD GPU variants
- Consolidated build system with single build script replacing multiple variant-specific scripts
- Reorganized requirements files with clearer documentation and improved dependency management
Reviewed Changes
Copilot reviewed 18 out of 18 changed files in this pull request and generated 6 comments.
Show a summary per file
| File | Description |
|---|---|
setup.py |
Added filtering for -r requirements include directives |
examples/requirements*.txt |
Enhanced documentation headers explaining purpose and usage context |
docker/Dockerfile |
New unified multi-stage Dockerfile replacing 4 separate variant files |
docker/build-unified.sh |
New consolidated build script with improved hardware detection |
docker/entrypoint.sh |
New unified entrypoint script for all container variants |
docker/requirements/*.txt |
Updated requirement files with better documentation and structure |
docker/README.md |
Comprehensive documentation rewrite covering new unified architecture |
| Legacy files | Removed old Dockerfiles and build scripts (consolidated into unified approach) |
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| def read_requirements(filename): | ||
| with open(os.path.join("examples", filename), "r", encoding="utf-8") as fh: | ||
| return [line.strip() for line in fh if line.strip() and not line.startswith("#")] | ||
| return [ | ||
| line.strip() | ||
| for line in fh | ||
| if line.strip() | ||
| and not line.startswith("#") | ||
| and not line.startswith("-r") |
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The filtering logic excludes -r (include) directives but doesn't handle requirements files that might legitimately use includes. Consider adding a comment explaining why -r directives are filtered out, or make this configurable if the filtering behavior should be conditional.
| VARIANT="${1:-cpu}" | ||
| NO_CACHE="${2:-false}" | ||
| PYTORCH_VERSION="2.8.0" | ||
| CUDA_VERSION="12.9" | ||
| CUDNN_VERSION="9" | ||
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The script relies on positional parameter ordering which can be fragile. Consider using proper argument parsing (getopts) to handle options like --no-cache more robustly, especially since the usage examples show --no-cache as a flag rather than a positional argument.
| VARIANT="${1:-cpu}" | |
| NO_CACHE="${2:-false}" | |
| PYTORCH_VERSION="2.8.0" | |
| CUDA_VERSION="12.9" | |
| CUDNN_VERSION="9" | |
| VARIANT="cpu" | |
| NO_CACHE="false" | |
| PYTORCH_VERSION="2.8.0" | |
| CUDA_VERSION="12.9" | |
| CUDNN_VERSION="9" | |
| # ----------------------------------------------------------------------------- | |
| # Argument parsing | |
| # ----------------------------------------------------------------------------- | |
| while [[ $# -gt 0 ]]; do | |
| case "$1" in | |
| --no-cache) | |
| NO_CACHE="true" | |
| shift | |
| ;; | |
| cpu|nvidia|amd) | |
| VARIANT="$1" | |
| shift | |
| ;; | |
| -*) | |
| print_warning "Unknown option: $1" | |
| shift | |
| ;; | |
| *) | |
| print_warning "Unknown argument: $1" | |
| shift | |
| ;; | |
| esac | |
| done |
| RUN sed '/^qiskit-aer/d' /tmp/requirements/base.txt > /tmp/requirements/base-no-aer.txt && \ | ||
| pip install -r /tmp/requirements/base-no-aer.txt |
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The sed command to exclude qiskit-aer from base requirements is duplicated between the NVIDIA and AMD stages. Consider extracting this logic to a shared stage or create a separate base-no-aer.txt file to reduce code duplication.
| # Detect variant | ||
| if command -v nvidia-smi &> /dev/null; then | ||
| echo "Platform: NVIDIA CUDA GPU" | ||
| echo "CUDA Version: $(nvcc --version | grep "release" | awk '{print $6}' | cut -c2- || echo 'N/A')" |
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The CUDA version extraction command is complex and fragile. Consider using nvidia-smi --query-gpu=driver_version --format=csv,noheader,nounits or a more robust parsing method to extract version information.
| echo "CUDA Version: $(nvcc --version | grep "release" | awk '{print $6}' | cut -c2- || echo 'N/A')" | |
| echo "CUDA Version: $(nvidia-smi --query-gpu=driver_version --format=csv,noheader,nounits 2>/dev/null | head -n1 || nvcc --version | grep "release" | awk '{print $6}' | cut -c2- || echo 'N/A')" |
| nvidia-smi --query-gpu=name,memory.total --format=csv,noheader 2>/dev/null || echo "GPU info not available" | ||
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| # Check PyTorch CUDA | ||
| python -c "import torch; print(f'PyTorch CUDA Available: {torch.cuda.is_available()}')" 2>/dev/null || true |
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Both CUDA and ROCm variants use torch.cuda.is_available() to check GPU availability. For ROCm, this should use ROCm-specific detection methods or at minimum clarify in the output that cuda.is_available() also returns true for ROCm devices.
| rocm-smi --showproductname 2>/dev/null || echo "ROCm GPU detected" | ||
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| # Check PyTorch ROCm | ||
| python -c "import torch; print(f'PyTorch ROCm Available: {torch.cuda.is_available()}')" 2>/dev/null || true |
There was a problem hiding this comment.
Both CUDA and ROCm variants use torch.cuda.is_available() to check GPU availability. For ROCm, this should use ROCm-specific detection methods or at minimum clarify in the output that cuda.is_available() also returns true for ROCm devices.
| python -c "import torch; print(f'PyTorch ROCm Available: {torch.cuda.is_available()}')" 2>/dev/null || true | |
| python -c "import torch; print(f'PyTorch CUDA interface available (used for both CUDA and ROCm): {torch.cuda.is_available()}'); print(f'PyTorch device name: {torch.cuda.get_device_name(0) if torch.cuda.is_available() else \"N/A\"}')" 2>/dev/null || true |
📋 Description
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Thank you for contributing to Quantum Computing 101! 🚀⚛️