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Refactor Dockerfile.cuda for package management
Updated package installation and environment variables in Dockerfile.cuda. Removed tar.gz file after extraction to clean up.
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Lines changed: 5 additions & 4 deletions

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Dockerfile.cuda

Lines changed: 5 additions & 4 deletions
Original file line numberDiff line numberDiff line change
@@ -2,10 +2,11 @@ FROM nvidia/cuda:12.2.0-devel-ubuntu22.04
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RUN apt update && apt install -y --no-install-recommends \
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libopenblas-openmp-dev liblapack-dev libscalapack-mpi-dev libfftw3-dev libcereal-dev \
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libxc-dev libgtest-dev libgmock-dev libbenchmark-dev python3-numpy \
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bc cmake git g++ make time sudo unzip vim wget libopenmpi-dev gfortran libtool-bin
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libxc-dev libgtest-dev libgmock-dev libbenchmark-dev python3-numpy ca-certificates \
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bc cmake git g++ make time sudo unzip vim wget libopenmpi-dev gfortran libtool-bin && \
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rm -rf /var/lib/apt/lists/*
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ENV GIT_SSL_NO_VERIFY=true TERM=xterm-256color \
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ENV TERM=xterm-256color \
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OMPI_ALLOW_RUN_AS_ROOT=1 OMPI_ALLOW_RUN_AS_ROOT_CONFIRM=1 \
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OMPI_MCA_btl_vader_single_copy_mechanism=none
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@@ -30,7 +31,7 @@ RUN cd /tmp && \
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tar -xzf rapidjson-24b5e7a.tar.gz && cd rapidjson-24b5e7a && \
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cmake -B build -DRAPIDJSON_BUILD_DOC=OFF -DRAPIDJSON_BUILD_EXAMPLES=OFF -DRAPIDJSON_BUILD_TESTS=OFF && \
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cmake --build build --target install && \
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cd /tmp && rm -r rapidjson-24b5e7a
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cd /tmp && rm -rf rapidjson-24b5e7a rapidjson-24b5e7a.tar.gz
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ADD https://api.github.com/repos/deepmodeling/abacus-develop/git/refs/heads/develop /dev/null
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