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Update Dockerfile
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iwatobipen authored Sep 20, 2024
1 parent d03d965 commit 261ed8b
Showing 1 changed file with 6 additions and 3 deletions.
9 changes: 6 additions & 3 deletions Dockerfile
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Expand Up @@ -48,13 +48,16 @@ RUN mkdir -p ${INSTALLDIR} && \
rm Miniconda3-latest-Linux-x86_64.sh && \
. "${HELIXFOLD3DIR}/conda/etc/profile.d/conda.sh" && \
conda create -n helixfold -c conda-forge python=3.9 -y && \

conda install -y -c bioconda hmmer==3.3.2 kalign2==2.04 hhsuite==3.3.0 -n helixfold && \
conda install -y -c conda-forge openbabel -n helixfold && \
# cudnn 8.4.0のインストール
conda install -y -c conda-forge cudatoolkit==11.8.0 cudnn==8.4.1.50 -n helixfold && \
# conda install -y -c conda-forge cudatoolkit==11.8.0 cudnn==8.4.1.50 -n helixfold && \
conda install -y -c conda-forge cudnn==8.4.1.50 -n helixfold && \
conda install -y -c conda-forge -c paddle paddlepaddle-gpu -n helixfold && \

conda activate helixfold && \
python3.9 -m pip install https://paddle-wheel.bj.bcebos.com/2.5.1/linux/linux-gpu-cuda11.7-cudnn8.4.1-mkl-gcc8.2-avx/paddlepaddle_gpu-2.5.1.post117-cp39-cp39-linux_x86_64.whl && \
python3.9 -m pip install -r requirements.txt
# python -m pip install https://paddle-wheel.bj.bcebos.com/2.5.1/linux/linux-gpu-cuda11.7-cudnn8.4.1-mkl-gcc8.2-avx/paddlepaddle_gpu-2.5.1.post117-cp39-cp39-linux_x86_64.whl && \
python -m pip install -r requirements.txt

WORKDIR /opt

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