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Reactivated abtem after relocation

Merged Markus Kuehbach requested to merge reactivate into main
Files
5
+ 9
14
@@ -23,37 +23,32 @@ RUN mkdir -p /home \
&& mkdir -p /home/gpaw \
&& mkdir -p /home/abtem
COPY Cheatsheet.ipynb FAIRmat_S.png /home/
COPY Cheatsheet.ipynb FAIRmatNewLogo.png NOMADOasisLogo.png /home/
COPY 02-exec-cmd /config/custom-cont-init.d/02-exec-cmd
# install operating system dependencies
RUN apt update \
&& apt-get install -y \
git=1:2.25.1-1ubuntu3.11 cmake=3.16.3-1ubuntu1.20.04.1 \
unzip=6.0-25ubuntu1 wget=1.20.3-1ubuntu2 libgtk-3-dev=3.24.20-0ubuntu1.1 \
build-essential=12.8ubuntu1.1\
libglu1-mesa-dev=9.0.1-1build1 libblas-dev=3.9.0-1build1 \
liblapack-dev=3.9.0-1build1 libxc-dev=4.3.4-1build1 \
&& apt-get install -y git cmake unzip wget libgtk-3-dev build-essential libglu1-mesa-dev=9.0.1-1build1 libblas-dev liblapack-dev libxc-dev \
&& wget https://repo.anaconda.com/miniconda/Miniconda3-latest-Linux-x86_64.sh \
&& chmod +x Miniconda3-latest-Linux-x86_64.sh \
&& bash ./Miniconda3-latest-Linux-x86_64.sh -b -p /usr/local/miniconda3 \
&& rm -f Miniconda3-latest-Linux-x86_64.sh \
&& cd /home \
&& conda config --add channels conda-forge \
&& conda config --set channel_priority strict \
&& conda install python=3.10.6 ipykernel=6.16.0 jupyterlab=3.4.7 nodejs=18.9.0 \
&& pip install jupyterlab_h5web[full]==6.0.1 \
&& pip install gpaw \
&& pip install abtem \
&& conda install python jupyter jupyterlab jupyterlab-h5web gpaw abtem \
&& conda clean -afy \
&& chown -R ${PUID}:${PGID} /usr/local/miniconda3 \
&& python -m pip install --upgrade pip \
&& cd /home/vesta \
&& wget https://jp-minerals.org/vesta/archives/3.5.7/VESTA-gtk3.tar.bz2 \
&& wget https://jp-minerals.org/vesta/archives/3.5.8/VESTA-gtk3.tar.bz2 \
&& tar -xvf VESTA-gtk3.tar.bz2 \
&& rm -f VESTA-gtk3.tar.bz2 \
&& chown -R ${PUID}:${PGID} /usr/local/miniconda3 \
&& chown -R ${PUID}:${PGID} /home
WORKDIR /home
# comments to ignore
# how to call this container for development purposes for example
# docker run -p 3000:8888 ewr-abinit-em-webtop
# && conda config --set channel_priority strict \
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