Dockerfile.xpu

FROM amr-registry.caas.intel.com/aipg/kinlongk-pytorch:nightly-xpu
# for setup run with root
USER 0
# needed to make sure mamba environment is activated
ARG MAMBA_DOCKERFILE_ACTIVATE=1
# install packages, particularly xpu torch from nightly wheels
RUN pip install torch-geometric
# DGl is currently unsupported, and uses libtorch so we need to build it
WORKDIR /opt/matsciml
COPY . .
RUN pip install -e .
RUN git clone --recurse-submodules https://github.com/dmlc/dgl.git /opt/dgl
ENV DGL_HOME=/opt/dgl
WORKDIR /opt/dgl/build
RUN cmake -DUSE_CUDA=OFF -DPython3_EXECUTABLE=/opt/conda/bin/python .. && make
WORKDIR /opt/dgl/python
RUN pip install .
RUN micromamba clean --all --yes && rm -rf /opt/xpu-backend /var/lib/apt/lists/*
# make conda read-writable for user
RUN chown -R $MAMBA_USER:$MAMBA_USER /opt/matsciml && chown -R $MAMBA_USER:$MAMBA_USER /opt/conda
# change back to non-root user
USER $MAMBA_USER
LABEL org.opencontainers.image.authors="Kin Long Kelvin Lee"
LABEL org.opencontainers.image.vendor="Intel Labs"
LABEL org.opencontainers.image.base.name="amr-registry.caas.intel.com/aipg/kinlongk-pytorch:nightly"
LABEL org.opencontainers.image.title="kinlongk-pytorch"
LABEL org.opencontainers.image.description="XPU enabled PyTorch+Triton from Github artifact wheel builds."
HEALTHCHECK NONE
ENTRYPOINT ["/usr/local/bin/entrypoint.sh"]