Dockerfile

FROM registry.ethz.ch/eduit/images/notebooks/25fs/jh-notebook-base:5.2.1-01

USER root

#######
# Julia
#######

RUN http_proxy=http://proxy.ethz.ch:3128 https_proxy=http://proxy.ethz.ch:3128 julia -e "using Pkg; Pkg.add.([ \
	\"NBInclude\", \ 
	\"PyPlot\", \ 
	\"Roots\", \
	\"UnPack\", \ 
        \"WhereTheWaterFlows\", \
        \"BenchmarkTools\", \
	\"Plots\" \
]); Pkg.update;"

####
# R
####
RUN Rscript >/dev/null 2>&1 -e "install.packages(pkgs=c( \
    'bayesplot', \
    'bayestestR', \
    'blockmodeling', \
    'biostat3', \
    'brms', \
    'countrycode', \
    'GGally', \
    'ggforce', \
    'ggplot2', \
    'ggraph', \
    'goldfish', \
    'gt', \
    'gtsummary', \
    'igraph', \
    'lfe', \
    'lubridate', \
    'loo', \
    'matlib', \
    'mice', \
    'nloptr', \ 
    'openxlsx', \
    'RBGL', \
    'RColorBrewer', \
    'RcppEigen', \
    'RSiena', \
    'sbm', \
    'scico', \
    'sensitivity', \
    'sjPlot', \
    'sna', \
    'stargazer', \
    'statnet', \
    'terra', \
    'tibble', \
    'tidybayes', \
    'tidygraph', \
    'tidyverse'), repos=c('http://cran.r-project.org'), dependencies=TRUE, timeout=300)" \
    && \
    Rscript -e "install.packages(pkgs=c('BiocManager'), repos=c('http://cran.r-project.org'))" \
    && \
    Rscript -e "BiocManager::install()" \
    && \
    Rscript -e "devtools::install_github(repo = 'AECP-ETHZ/ETH.OLP')"

##############################
# Python and R from Condaforge
##############################

RUN mamba install -q -c defaults -c conda-forge -c bioconda -c bokeh \
  # arviz \
  # autogluon \
  # biopython \
  # bokeh \
  # boost-histogram \
  # corner \
  # cobra \
  # dynesty \
  # emcee \
  # ete3 \
  # flax \
  # fqdn \
  # geopandas \
  # graph-tool \
  # igraph \
  # ipydatagrid \
  # isoduration \
  # keras \
  # meshio \
  # mplcursors \
  # multi_rake \
  # optax \
  # pathos \
  # pint \
  # plotly \
  py3dmol \
  pylatex \
  pymrio \
  pyteomics \
  pytesseract \
  pyspellchecker \
  rdkit \
  scikit-image \
  scikit-learn \
  seaborn \
  sparqlwrapper \
  tabulate \
  tinygp \
  trame \
  trame-vuetify \
  uncertainties \
  uri-template \
  webcolors \
  wikipedia \
  wordcloud \
  xgboost \
  yake \
  r-ape \
  r-bio3d \
  r-devtools \
  r-gifski \
  r-lpsolve \
  r-lhs \
  r-rsolnp \
  && \
  mamba install -c python-control control \
  && \
  mamba clean --all

# Disabled:
# autogluon \
# root \  # breaks sqlite3, hub fails to start


##################
# Python from pypi
##################

# RUN PIP_PROXY=http://proxy.ethz.ch:3128 pip3 install --proxy=http://proxy.ethz.ch:3128 --default-timeout=100 \
#   adjustText \
#   anndata \
#   asserts \
#   astroquery \
#   brainpy \
#   brightway25 \
#   Cartopy \
#   deep_translator \
#   ecoinvent-interface \
#   einsteinpy \
#   eppy \
#   gmsh \
#   goatools \
#   gseapy \
#   gurobipy \
#   jaxopt \
#   jupyterlab-spreadsheet-editor \
#   jupyter_ai \
#   keybert \
#   langchain-openai \
#   lmfit \
#   mariopy \
#   mycolorpy \
#   mpl-interactions["jupyter"] \
#   mpl_point_clicker \
#   networkit \
#   networkx \
#   numdifftools \
#   obspy \
#   openai \
#   opencv-python opencv-contrib-python \
#   otter-grader \
#   petitRADTRANS \
#   zfit \
#   PyAstronomy \
#   pycosmo \
#   pycryptodome \
#   pyFAI \
#   pymatgen \
#   pypardiso \
#   pyvista \
#   rise \
#   scanpy \
#   sensemapi \
#   scikit-image \
#   scikit-kinematics \
#   summa \
#   tensorflow \
#   "tensorflow-probability[jax]" \
#   torch \
#   umap \
#   umap-learn \
#   vpython \
#   wiktionaryparser \
#   xgboost \
#   yolov5

# =====================
# Packages requested after semester start, should go to the list 2 RUNs above if a major rebuild is planned.
# Placing it here keeps the image cache disk space low, because it adds only a thin extra layer
# =====================

# No extra package added yet for HS24...
# RUN PIP_PROXY=http://proxy.ethz.ch:3128 pip3 install -U --proxy=http://proxy.ethz.ch:3128 --default-timeout=100 \
#  package_1 \
#  package_last

# User submitted support programs
COPY bin /usr/local/bin/

# Configuration items
COPY etc /etc

USER 1000