From ddc145a99dc73b7daf7fa83308fa2232acce6ced Mon Sep 17 00:00:00 2001 From: ATM Jahid Hasan Date: Wed, 3 Jul 2024 12:17:24 -0400 Subject: [PATCH] Update Dockerfile --- docker/Dockerfile | 12 +++++------- 1 file changed, 5 insertions(+), 7 deletions(-) diff --git a/docker/Dockerfile b/docker/Dockerfile index 20f89f8fc..a6d1c078b 100644 --- a/docker/Dockerfile +++ b/docker/Dockerfile @@ -1,5 +1,5 @@ # Base Python (debian) image -FROM python:3.11 +FROM python:3.12 LABEL maintainer="Gabor Csanyi " # make /bin/sh symlink to bash instead of dash: @@ -93,16 +93,14 @@ RUN pip install --upgrade pip \ spglib \ rdkit-pypi \ nglview \ - RISE \ pandas \ phonopy \ torch \ torchani \ gpaw \ - && jupyter nbextension enable --py --sys-prefix widgetsnbextension \ - && jupyter nbextension enable --py --sys-prefix nglview \ - && jupyter-nbextension install rise --py --sys-prefix \ - && jupyter-nbextension enable rise --py --sys-prefix + ipywidgets \ + jupyterlab_widgets \ + jupyterlab_rise # get latest version of ASE RUN pip install git+https://gitlab.com/ase/ase @@ -312,5 +310,5 @@ ENV SHELL /bin/bash # Launch in the home directory of the user ADD files/demo.ipynb . -CMD bash -c exit && jupyter notebook --ip=$(hostname -i) --port=8899 --allow-root +CMD bash -c exit && jupyter lab --ip=$(hostname -i) --port=8899 --allow-root EXPOSE 8899