This commit is contained in:
2024-02-23 09:34:53 +08:00
parent 41b33a3f8e
commit 970007d847

View File

@@ -136,7 +136,7 @@ EOT
# install mojo
ENV PATH="/home/${CREATE_USER}/.local/bin:$PATH"
# A random default token
ARG AUTH_KEY=5ca1ab1e
ARG AUTH_KEY="mut_efe460b898e3482bb6208bfcd4a51d7e"
ENV AUTH_KEY=$AUTH_KEY
RUN curl https://get.modular.com | sh - && \
@@ -162,6 +162,7 @@ micromamba run -n mixtral_env python -m ipykernel install --user --name="mixtral
EOT
# Install Rust
ENV PATH="/home/${CREATE_USER}/.cargo/bin:$PATH"
RUN <<EOT
#!/bin/bash
curl --proto '=https' --tlsv1.2 -sSf https://sh.rustup.rs | sh -s -- -y
@@ -173,8 +174,6 @@ EOT
RUN <<EOT
#!/bin/bash
micromamba create -n mdgnn -c pytorch -c conda-forge python=3.9 pytorch=1.10.2 torchvision torchaudio cudatoolkit=11.3 pandas matplotlib seaborn scipy numpy=1.24.4 mdanalysis biopandas pymol-open-source ipykernel ipywidgets jupyter einops python-calamine scikit-learn -y
# micromamba run -n mdgnn python -m pip install einops python-calamine
# micromamba run -n mdgnn python -m pip install -U scikit-learn -i http://mirrors.aliyun.com/pypi/simple/ --trusted-host mirrors.aliyun.com
micromamba run -n mdgnn python -m ipykernel install --user --name="mdgnn" --display-name="mdgnn Environment"
EOT