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hotwa
2024-01-13 23:29:53 +08:00
parent e4faf40622
commit 3ce8af9a0e
2 changed files with 28 additions and 14 deletions
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6
README.md
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@@ -117,3 +117,9 @@ docker volume rm basic-example_jupyterhub-data
docker volume rm docker-jupyterhub_jupyterhub-data
docker volume rm jupyterhub-user-admin
```
## 构建
```shell
docker buildx build -t hotwa/notebook:latest -f Dockerfile.base-notebook . --load
```

36
spawnerdockerfile/Dockerfile.base-notebook
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@@ -124,22 +124,30 @@ ENV MAMBA_ROOT_PREFIX=/home/${CREATE_USER}/mamba
# add pdb env
RUN <<EOT
#!/bin/bash
mamba create -n pdbfixer_env -c conda-forge pdbfixer openmm pymol-open-source rdkit openbabel ipykernel -y
mamba run -n pdbfixer_env python -m ipykernel install --user --name="pdbfixer" --display-name="PDBfixer Environment"
mamba create -n scardock_env -c conda-forge -c bioconda -c pylyzeng vinautil ipykernel -y
mamba run -n scardock_env python -m ipykernel install --user --name="scardock" --display-name="SCARdock Environment"
mamba create -n fpocket_env -c conda-forge fpocket ipykernel -y
mamba run -n fpocket_env python -m ipykernel install --user --name="fpocket" --display-name="fpocket Environment"
EOT
# SCIplot env
RUN <<EOT
#!/bin/bash
conda create -n pdbfixer_env -c conda-forge pdbfixer openmm pymol-open-source rdkit openbabel ipykernel -y
conda run -n pdbfixer_env python -m ipykernel install --user --name="pdbfixer" --display-name="PDBfixer Environment"
conda create -n scardock_env -c conda-forge -c bioconda -c pylyzeng vinautil ipykernel -y
conda run -n scardock_env python -m ipykernel install --user --name="scardock" --display-name="SCARdock Environment"
conda create -n fpocket_env -c conda-forge fpocket ipykernel -y
conda run -n fpocket_env python -m ipykernel install --user --name="fpocket" --display-name="fpocket Environment"
sudo apt update
sudo apt install -y texlive-full
micromamba create -n plot -c conda-forge scienceplots autopep8 python=3 ipykernel pandas numpy matplotlib scipy seaborn orange3 -y
micromamba run -n plot python -m pip install bamboolib
micromamba run -n plot python -m ipykernel install --user --name="sciplot" --display-name="SCIPlot Environment"
conda create -n plot -c conda-forge scienceplots autopep8 python=3 ipykernel pandas numpy matplotlib scipy seaborn orange3 -y
conda run -n plot python -m pip install bamboolib
conda run -n plot python -m ipykernel install --user --name="sciplot" --display-name="SCIPlot Environment"
EOT
# RUN <<EOT
# #!/bin/bash
# mamba create -n mixtral_env -c conda-forge ipykernel -y
# mamba run -n mixtral_env python -m pip install
# mamba run -n mixtral_env python -m ipykernel install --user --name="mixtral" --display-name="mixtral Environment"
# EOT
# # new env
# RUN <<EOT
# #!/bin/bash
# EOT
WORKDIR "${HOME}"