# CUDA-enabled multi-stage build to compile and run the project from source
FROM nvidia/cuda:11.8.0-devel-ubuntu22.04 AS builder

ENV DEBIAN_FRONTEND=noninteractive

# Install required build tools
RUN apt-get update && \
    apt-get install -y --no-install-recommends build-essential && \
    rm -rf /var/lib/apt/lists/*

WORKDIR /workspace

# Copy the repository
COPY . .

# Build the project using the Linux makefile for the CUDA MD example
RUN make -f src/13-md/cpp/makefile ljmd

# Runtime stage
FROM nvidia/cuda:11.8.0-runtime-ubuntu22.04

# Copy the built binary from the builder stage
COPY --from=builder /workspace/ljmd /usr/local/bin/ljmd

# Ensure the CUDA runtime libraries are visible at runtime
ENV LD_LIBRARY_PATH=/usr/local/cuda/lib64:${LD_LIBRARY_PATH}

WORKDIR /workspace

CMD ["bash","-lc","/usr/local/bin/ljmd"]

# Exclude VCS and unnecessary files from the Docker build
.git/
.gitignore
node_modules/
build/
dist/
__pycache__/
*.pyc
*.pyo
*.swp
*.log
*.tmp
*.out
*.o
*.a
*.so
*.dll
*.exe
*.cu.d
*.cpp.d
coverage/
plots/
*.eps
*.pdf
*.jpg
*.png
.DS_Store

ERROR: permission denied while trying to connect to the docker API at unix:///var/run/docker.sock

# syntax=docker/dockerfile:1
FROM nvidia/cuda:11.8.0-devel-ubuntu22.04 AS builder

RUN apt-get update && apt-get install -y --no-install-recommends \
    build-essential ca-certificates curl git

# Clean up apt lists to keep image small
RUN rm -rf /var/lib/apt/lists/*

WORKDIR /workspace

# Copy Linux CUDA variant sources (cpp) into the build context
COPY src/13-md/cpp /workspace/src/13-md/cpp

# Build using the Linux Makefile located at src/13-md/cpp/makefile
RUN make -C src/13-md/cpp -f makefile

# Move the resulting binary to a predictable location
RUN mkdir -p /workspace && cp /workspace/src/13-md/cpp/ljmd /workspace/ljmd

# Runtime stage: use a CUDA runtime image
FROM nvidia/cuda:11.8.0-runtime-ubuntu22.04

# Copy the built binary from the builder stage
COPY --from=builder /workspace/ljmd /usr/local/bin/ljmd

WORKDIR /workspace

ENTRYPOINT ["ljmd"]

# Ignore VCS
.git
.gitignore

# IDEs & editors
.vscode/
.idea/

# OS files
.DS_Store

# Build artefacts
**/*.o
**/*.obj
**/*.dll
**/*.so
**/*.a
**/*.out
**/*.log
build/
dist/
**/__pycache__/
__pycache__/

# Node
node_modules/

# CUDA/Build leftovers
src/**/build/

# Ignore VCS
.git
.gitignore

# IDEs & editors
.vscode/
.idea/

# OS files
.DS_Store

# Build artefacts
**/*.o
**/*.obj
**/*.dll
**/*.so
**/*.a
**/*.out
**/*.log
build/
dist/
**/__pycache__/
__pycache__/

# Node
node_modules/

# CUDA/Build leftovers
src/**/build/

ERROR: permission denied while trying to connect to the docker API at unix:///var/run/docker.sock

FROM ubuntu:jammy-20260210.1

# Install essential build tools and CUDA toolkit for nvcc
RUN apt-get update && apt-get install -y --no-install-recommends \
    build-essential ca-certificates wget ca-certificates curl unzip \
    && rm -rf /var/lib/apt/lists/*

# Install CUDA toolkit so nvcc is available for building CUDA sources
RUN apt-get update && apt-get install -y --no-install-recommends \
    nvidia-cuda-toolkit \
    && rm -rf /var/lib/apt/lists/*

# Set work directory and copy the repository
WORKDIR /workspace
COPY . /workspace

# Build the project from source using the Linux makefile located at src/13-md/cpp/makefile
RUN make -f src/13-md/cpp/makefile ljmd

# Default command runs the built executable
CMD ["./ljmd"]

# Ignore version control and IDE files
.git/
.gitignore
.vscode/
.idea/
*.swp
*.o
*.obj
*.dll
*.exe
*.so
build/
out/
**/node_modules/

ERROR: permission denied while trying to connect to the docker API at unix:///var/run/docker.sock