change nodejs to 18 and all install nglview
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@@ -78,6 +78,8 @@ ARG ROOT_PASSWD="password"
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ARG HOME="/home/${CREATE_USER}"
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ARG DEBIAN_FRONTEND="noninteractive"
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ENV DEBIAN_FRONTEND=${DEBIAN_FRONTEND}
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ARG NODEJS_VERSION='18'
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ENV NODEJS_VERSION=${NODEJS_VERSION}
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COPY install.sh /tmp
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RUN <<EOT
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@@ -90,7 +92,10 @@ ln -sf /usr/share/zoneinfo/Asia/Shanghai /etc/localtime
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echo 'Asia/Shanghai' > /etc/timezone
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dpkg-reconfigure -f noninteractive tzdata
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# 安装所需的软件包
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sudo apt-get remove --purge libnode72:amd64 -y
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curl -fsSL https://deb.nodesource.com/setup_${NODEJS_VERSION}.x | sudo -E bash -
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apt-get install -y python3 python3-pip gcc g++ build-essential nodejs npm gdebi-core curl wget openssh-server vim lrzsz net-tools sudo git nodejs
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npm install -g configurable-http-proxy yarn --registry=https://registry.npmmirror.com
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# 创建新用户
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useradd -m -s /bin/bash ${CREATE_USER}
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echo "${CREATE_USER}:${CREATE_USER_PASSWD}" | chpasswd
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@@ -100,11 +105,7 @@ EOT
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# 安装 Jupyter 和相关软件
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RUN <<EOT
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#!/bin/bash
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npm install -g configurable-http-proxy
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git clone https://github.com/arose/nglview
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cd nglview
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python setup.py install
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cd ..
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python3 -m pip install ipython jupyterhub jupyterlab notebook jupyter_packaging -i http://mirrors.aliyun.com/pypi/simple/ --trusted-host mirrors.aliyun.com
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python3 -m pip install aiohttp -i http://mirrors.aliyun.com/pypi/simple/ --trusted-host mirrors.aliyun.com
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python3 -m pip install jupyterhub jupyterlab notebook radian pycurl aiohttp jupyter-rsession-proxy ipykernel>=6.25.0 jupyterlab-language-pack-zh-CN jupyterlab-git jupyterlab-system-monitor jupyter_nbextensions_configurator jupyter_contrib_nbextensions jupyterlab_widgets jupyterlab-drawio jupyterlab-spreadsheet-editor jupyterlab-cell-flash jedi-language-server jupyterlab_code_formatter jupyterlab-spellchecker jupyterlab_vim nbresuse ipydrawio jedi ipympl black isort theme-darcula ipywidgets tensorboard jupyterlab_latex jupyter_bokeh autopep8 xeus-python jupyterlab-lsp python-lsp-server dockerspawner jupyterhub-nativeauthenticator lckr_jupyterlab_variableinspector -i http://mirrors.aliyun.com/pypi/simple/ --trusted-host mirrors.aliyun.com
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EOT
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@@ -178,8 +179,16 @@ RUN <<EOT
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#!/bin/bash
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sudo apt update
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sudo apt install -y texlive-full
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mamba create -n torch pytorch torchvision torchaudio python=3 ipython nglview requests scienceplots autopep8 ipykernel\
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mamba create -n torch jupyter_packaging pytorch biopython biopandas pymol-open-source mdtraj torchvision torchaudio python=3 ipython requests scienceplots autopep8 ipykernel\
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pandas numpy matplotlib scipy seaborn orange3 -c pytorch -c nvidia -c conda-forge -y
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git clone https://ghproxy.dockless.eu.org/https://github.com/arose/nglview
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cd nglview
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mamba run -n torch python3 setup.py install
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cd js
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rm -rf node_modules package-lock.json
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npm install typescript@latest --registry=https://registry.npmmirror.com
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npm install --registry=https://registry.npmmirror.com
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cd ../..
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mamba run -n torch python -m ipykernel install --user --name="torch" --display-name="torch_env"
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EOT
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