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Docker container for nglview with jupyterlab #653

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merged 6 commits into from Jul 23, 2017
Merged

Docker container for nglview with jupyterlab #653

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46bb609
jupyterlab docker
hainm Jul 21, 2017
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hainm Jul 22, 2017
cad97c3
Merge branch 'master' of https://github.com/arose/nglview into jupyte…
hainm Jul 23, 2017
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hainm Jul 23, 2017
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hainm Jul 23, 2017
940399e
Update circle.yml
hainm Jul 23, 2017
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36 changes: 16 additions & 20 deletions Dockerfile
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@@ -1,23 +1,19 @@
FROM jupyter/notebook
# (optional) docker build . -f Dockerfile-jupyterlab -t hainm/juypterlab:0.25.2
# docker build . -t hainm/nglview:1.0.a0

# 2.7
RUN python -m pip install pip --upgrade
RUN python -m pip install numpy
RUN python -m pip install nglview==0.6.2.3
RUN python -m pip install ipywidgets==5.2.2
RUN python -m pip install pytraj==1.0.9
RUN python -m jupyter nbextension enable --py --sys-prefix widgetsnbextension
RUN python -m jupyter nbextension install --py --sys-prefix nglview
RUN python -m jupyter nbextension enable --py --sys-prefix nglview
# How to run?
# docker -it --rm -p 8888:8888 hainm/nglview:1.0.a0

# 3.4
RUN python3 -m pip install pip --upgrade
RUN python3 -m pip install numpy
RUN python3 -m pip install nglview==0.6.2.3
RUN python3 -m pip install ipywidgets==5.2.2
RUN python3 -m pip install pytraj==1.0.9
RUN python3 -m jupyter nbextension enable --py --sys-prefix widgetsnbextension
RUN python3 -m jupyter nbextension install --py --sys-prefix nglview
RUN python3 -m jupyter nbextension enable --py --sys-prefix nglview
FROM hainm/jupyterlab:0.25.2
RUN pip install numpy
RUN pip install pytraj

CMD ["jupyter", "notebook", "--no-browse"]
ADD . /opt/app/nglview

# nglview-js-widgets
RUN cd /opt/app/nglview/js && npm install . --save
RUN cd /opt/app/nglview && python setup.py install

# nglview-jupyterlab
RUN cd /opt/app/nglview && jupyter-labextension install jslab
CMD jupyter lab --ip=* --port=8888 --no-browser --notebook-dir=/opt/app/data --allow-root --NotebookApp.iopub_data_rate_limit=100000000
16 changes: 16 additions & 0 deletions Dockerfile-jupyterlab
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# docker build . -f Dockerfile-jupyterlab -t hainm/juypterlab:0.25.2
#
FROM continuumio/miniconda3

RUN conda install notebook -c conda-forge -y
RUN pip install ipywidgets==7.0.0b0
RUN jupyter nbextension enable --py --sys-prefix widgetsnbextension

RUN conda install nodejs -c conda-forge -y
RUN conda install jupyterlab==0.25.2 -c conda-forge -y
RUN jupyter labextension install @jupyter-widgets/jupyterlab-manager # 0.24.7

# Expose Jupyter port & cmd
EXPOSE 8888
RUN mkdir -p /opt/app/data
CMD jupyter lab --ip=* --port=8888 --no-browser --notebook-dir=/opt/app/data --allow-root --NotebookApp.iopub_data_rate_limit=100000000
5 changes: 3 additions & 2 deletions circle.yml
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Expand Up @@ -4,8 +4,9 @@ machine:

dependencies:
override:
- docker pull condaforge/linux-anvil
- docker pull continuumio/miniconda3

test:
override:
- docker build -t nglview:dev .
- docker build . -f Dockerfile-jupyterlab -t hainm/juypterlab-dev
- docker build . -t nglview:dev