diff --git a/README.md b/README.md index f2560ccf..99b27a40 100644 --- a/README.md +++ b/README.md @@ -5,8 +5,11 @@ This repo provides docker images for running jupyter notebook in [Terra](https:/ Make sure to go through the [contributing guide](https://github.com/DataBiosphere/terra-docker/blob/master/CONTRIBUTING.md#contributing) as you make changes to this repo. # Terra Base Images + [terra-base](terra-base/README.md) +[terra-jupyter-base](terra-jupyter-base/README.md) + [terra-jupyter-python](terra-jupyter-python/README.md) [terra-jupyter-r](terra-jupyter-r/README.md) @@ -17,6 +20,12 @@ Make sure to go through the [contributing guide](https://github.com/DataBiospher [terra-jupyter-bioconductor](terra-jupyter-bioconductor/README.md) +## Image dependencies + +![Image dependencies](dependencies.png) +To update this map, install the PlantUML intelliJ extension, then edit the `mind.puml` file. + + # How to create your own Custom image to use with notebooks on Terra Custom docker images need to use a Terra base image (see above) in order to work with the service that runs notebooks on Terra. * You can use any of the base images above @@ -83,12 +92,27 @@ Detailed documentation on how to integrate the terra-docker image with Leonardo - Ensure that the `terra-docker-versions-candidate.json` file (which is what the UI sources the dropdown from) in the `terra-docjker-image-documentation-[env]` bucket correclty references your new docker image - [Update the terra-docker version candidate json](https://broadworkbench.atlassian.net/wiki/spaces/IA/pages/2519564289/Integrating+new+Terra+docker+images+with+Leonardo#6.-Update-terra-docker-versions-candidate.json) +## UV and updating dependencies +This repo uses [uv](https://pypi.org/project/uv/) to manage python dependencies. +The uv.lock file at the root of the directory ensures package versions across all the docker images are compatible. +Each image has a pyproject.toml file that defines the additional dependencies for that image. +- To make a general update to all dependencies, cd into the image directory and run `uv update`. +- If you want to update a specific dependency, you can run `uv add [package name]@[version]` to update to a specific version or just `uv add [package name]` to update to the latest version. +- Because the uv.lock file is at the root of the repo, you will need to run `uv sync` in each image directory after making changes to the dependencies to update the lockfile. + +IMPORTANT NOTE: The terra-base image has a separate uv.lock file because its pyproject.toml defines dependencies for the isolated jupyter server environment, which has different dependencies than the other images. +This means that if you are updating dependencies for the terra-base image, you will need to cd into the terra-base directory to update the uv.lock file for that image. +For all other images, the uv.lock file at the root of the repo is used and therefore docker image must be built from the root of the repo. + ## Testing your image manually -Build the image: -run `docker build [your_dir] -t [name]`. +#### Build the image from the root of the repo: +This is necessary to ensure the workspace `uv.lock` file can be accessed. +The one exception is if you are building the `terra-base` image, you will need to cd into the `terra-base` directory and build from there) + +run `docker build -f [your_dir]/Dockerfile . -t [name]`. -`docker build terra-base -t terra-base` +`docker build -f terra-jupyter-base/Dockerfile . -t us.gcr.io/broad-dsp-gcr-public/terra-base:{tag}` If you're on an M1 and building an image from a locally built image, replace the current FROM command: @@ -111,7 +135,8 @@ You can gain root access and open a bash terminal as follows: docker run --rm -it -u root -p 8000:8000 --entrypoint /bin/bash us.gcr.io/broad-dsp-gcr-public/terra-jupyter-base:0.0.7 ``` -Running locally is conventient for quick development and exploring the image. However it has some limitations compared to running through Terra. Namely: +Running locally is convenient for quick development and exploring the image. +However it has some limitations compared to running through Terra. Namely: - there are no service account credentials when run locally - there are no environment variables like `GOOGLE_PROJECT`, `WORKSPACE_NAME`, `WORKSPACE_BUCKET`, etc when running locally - there is no workspace-syncing when run locally @@ -168,10 +193,6 @@ The scripts folder has scripts used for building. - `generate_package_docs.py` This script is run once by build.sh each time an image is built. It is used to generate a .json with the versions for the packages in the image. - `generate_version_docs.py` This script is run each time an image is built. It builds a new file master version file for the UI to look up the current versions to reference. -## Image dependencies - -Note that this dependency graph needs to be updated! -![Image dependencies](dependencies.png) ## Push Images to GCR diff --git a/dependencies.png b/dependencies.png index e9f7af8e..ab2b63d2 100644 Binary files a/dependencies.png and b/dependencies.png differ diff --git a/mind.puml b/mind.puml index 7d71527f..e3d8b653 100644 --- a/mind.puml +++ b/mind.puml @@ -1,10 +1,11 @@ @startmindmap -* terra-jupyter-base -** terra-jupyter-python -*** terra-jupyter-gatk -**** terra-jupyter-aou -*** terra-jupyter-hail -** terra-jupyter-r -*** terra-jupyter-gatk -*** terra-jupyter-bioconductor +* terra-base +** terra-jupyter-base +*** terra-jupyter-python +**** terra-jupyter-hail +**** terra-jupyter-gatk +***** terra-jupyter-aou +*** terra-jupyter-r +**** terra-jupyter-gatk +**** terra-jupyter-bioconductor @endmindmap diff --git a/pyproject.toml b/pyproject.toml new file mode 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a/terra-jupyter-base/Dockerfile +++ b/terra-jupyter-base/Dockerfile @@ -1,6 +1,4 @@ -# adapted from https://hub.docker.com/r/jupyter/base-notebook/ AKA https://github.com/jupyter/docker-stacks/tree/master/base-notebook - -FROM gcr.io/deeplearning-platform-release/tf2-cu123.2-17.py310 +FROM --platform=linux/amd64 us.gcr.io/broad-dsp-gcr-public/terra-base:1.0.1 USER root @@ -9,25 +7,19 @@ USER root ####################### ENV DEBIAN_FRONTEND noninteractive +# Some of the packages from the old deepleaning image in terra-base +# this is an attempt to keep compatibility with the old image RUN apt-get update && apt-get install -yq --no-install-recommends \ - # gnupg requirement - dirmngr \ - gnupg \ - # curl requirement - ca-certificates \ - # useful utilities for debugging within the docker - nano \ - procps \ - lsb-release \ - # python requirements + # packages from terra-jupyter-base missing in terra-base \ checkinstall \ - build-essential \ zlib1g-dev \ - # pip requirements libssl-dev \ libbz2-dev \ libreadline-dev \ libsqlite3-dev \ + libnvinfer8 \ + libnvinfer-plugin8 \ + python3-libnvinfer \ llvm \ libncurses5-dev \ libncursesw5-dev \ @@ -35,125 +27,134 @@ RUN apt-get update && apt-get install -yq --no-install-recommends \ libffi-dev \ liblzma-dev \ python3-openssl \ - # install script requirements - sudo \ - locales \ - # for ssh-agent and ssh-add - keychain \ - # openjdk 11 default-jre \ default-jdk \ - # Uncomment en_US.UTF-8 for inclusion in generation - && sed -i 's/^# *\(en_US.UTF-8\)/\1/' /etc/locale.gen \ - # Generate locale - && locale-gen \ + apt-transport-https \ + apt-utils \ + blt \ + bsdextrautils \ + cpp-12 \ + dctrl-tools \ + dialog \ + dkms \ + emacs \ + emacs-bin-common \ + emacs-common \ + emacs-gtk \ + emacsen-common \ + fonts-lmodern \ + fuse \ + gcc-12 \ + groff-base \ + hdf5-helpers \ + htop \ + inotify-tools \ + install-info \ + kmod \ + libaec-dev \ + libaec0 \ + libasan8 \ + libcmark-gfm-extensions0.29.0.gfm.3 \ + libcmark-gfm0.29.0.gfm.3 \ + libcurl4-openssl-dev \ + libevent-core-2.1-7 \ + libfuse2 \ + libgcc-12-dev \ + libgd3 \ + libgpm2 \ + libhdf5-103-1 \ + libhdf5-cpp-103-1 \ + libhdf5-dev \ + libhdf5-fortran-102 \ + libhdf5-hl-100 \ + libhdf5-hl-cpp-100 \ + libhdf5-hl-fortran-100 \ + libibverbs1 \ + libinotifytools0 \ + libjansson4 \ + libkpathsea6 \ + libm17n-0 \ + libnl-3-200 \ + libnl-genl-3-200 \ + libnl-route-3-200 \ + libnuma-dev \ + libnuma1 \ + libopenblas-base \ + libopenblas0 \ + libopenblas0-pthread \ + libotf1 \ + libpci3 \ + libpipeline1 \ + libpopt0 \ + libprotobuf23 \ + libprotoc23 \ + libptexenc1 \ + libpython3.10 \ + libsnappy-dev \ + libsnappy1v5 \ + libsodium23 \ + libsynctex2 \ + libsz2 \ + libteckit0 \ + libtexlua53 \ + libtexluajit2 \ + libtsan2 \ + libuchardet0 \ + libutempter0 \ + libzzip-0-13 \ + m17n-db \ + man-db \ + pandoc \ + pandoc-data \ + pci.ids \ + pciutils \ + pkg-config \ + protobuf-compiler \ + python3-distutils \ + python3-lib2to3 \ + python3-libnvinfer \ + python3-pip \ + python3-setuptools \ + python3-snappy \ + python3-tk \ + python3-wheel \ + rsync \ + screen \ + t1utils \ + tex-common \ + texlive \ + texlive-base \ + texlive-binaries \ + texlive-fonts-recommended \ + texlive-latex-base \ + texlive-latex-recommended \ + tk8.6-blt2.5 \ + tmux \ + tree \ + vim \ + vim-common \ + vim-runtime \ + xxd \ && apt-get clean \ && rm -rf /var/lib/apt/lists/* ENV LC_ALL en_US.UTF-8 -####################### -# Python / Jupyter -####################### - -ENV USER=jupyter -RUN usermod -g users jupyter -ENV HOME /home/$USER - -# The welder uid is consistent with the Welder docker definition here: -# https://github.com/DataBiosphere/welder/blob/master/project/Settings.scala -# Adding welder-user to the Jupyter container isn't strictly required, but it makes welder-added -# files display nicer when viewed in a terminal. -ENV WELDER_USER=welder-user -ENV WELDER_UID=1001 -RUN useradd -m -s /bin/bash -N -u $WELDER_UID $WELDER_USER +############################################## +# Install Python packages to the conda env +############################################## -# ensure this matches c.NotebookApp.port in jupyter_notebook_config.py -ENV JUPYTER_PORT=8000 -ENV JUPYTER_HOME=/etc/jupyter +# Copy image pyproject.toml and workspace uv.lock for reproducible builds +COPY terra-jupyter-base/pyproject.toml ./ +COPY uv.lock ./ -RUN pip3 -V \ - # When we upgraded from jupyter 5.7.8 to 6.1.1, we broke terminal button on terra-ui. - # Hence, make sure to manually test out "launch terminal" button (the button in the green bar next to start and stop buttons) - # to make sure we don't accidentally break it every time we upgrade notebook version until we figure out an automation test for this - && pip3 install python-datauri \ - && pip3 install jupyter_contrib_nbextensions==0.7.0 \ - && pip3 install jupyter_nbextensions_configurator==0.6.3 \ - && pip3 install markupsafe==2.1.2 \ - && pip3 install traitlets==5.9.0 \ - # Avoid broken lower versions: https://github.com/jupyter/nbconvert/pull/1624, pinning to latest known working version on terra - && pip3 install "nbconvert>=7.7.3" \ - # Avoid notebook extension issues - && pip3 install "nbclassic<0.5" \ - # for jupyter_delocalize.py and jupyter_notebook_config.py - # DO NOT CHANGE OR UNPIN NOTEBOOK OR JUPYTERLAB-SERVER! When trying with 6.5.5 and 2.24.0 notebook commands could not find the notebook config file - && pip3 install jupyter_core==5.3.1 \ - && pip3 install jupyter-events==0.7.0 \ - && pip3 install jupyterlab==3.4.8 \ - && pip3 install notebook==6.5.4 \ - && pip3 install jupyter_server==1.24.0 \ - && pip3 install jupyterlab-server==2.23.0 \ - && pip3 install notebook_shim==0.2.3 \ - && pip3 install jupyter_server_proxy==4.0.0 \ - && pip3 install jupyter_server_terminals==0.4.4 \ - && pip3 install jupyterlab_git==0.42.0 \ - && pip3 install jupyterlab-pygments==0.2.2 \ - && pip3 install jupyterlab-widgets==3.0.8 \ - && pip3 install jupytext==1.15.0 \ - && pip3 install requests \ - && pip3 install firecloud \ - && pip3 install terra-notebook-utils==0.13.0 \ - && pip3 install crcmod \ - # For gcloud alpha storage support. - && pip3 install google-crc32c --target /usr/lib/google-cloud-sdk/lib/third_party \ - && pip3 install cromshell==2.0.0 \ - # This plugin is part of the base image and doesn't support our older Jupyter version - && pip3 uninstall -y dataproc_jupyter_plugin +RUN uv pip install --python ${CONDA_ENV_HOME}/bin/python -r pyproject.toml --no-cache \ + && rm pyproject.toml uv.lock -# to allow file-saving in different formats -# toc2 is not compatible with versions of notebooks over 5.x - deprecated -# RUN jupyter nbextension enable toc2/main - -# tmp hack min-5 -# I'm not installing jupyterlab and I can't update init-actions.sh to not access it -RUN mkdir -p /usr/local/share/jupyter/lab # make pip install to a user directory, instead of a system directory which requires root. # this is useful so `pip install` commands can be run in the context of a notebook. +ENV USER=jupyter ENV PIP_USER=true -# When using PIP_USER=true packages are installed into Python site.USER_BASE, which is '/home/jupyter' for this system. -# Append '/home/jupyter/.local/bin' to PATH -# pip docs: https://pip.pypa.io/en/stable/reference/pip_install/#cmdoption-user -ENV PATH="${PATH}:${HOME}/.local/bin:${HOME}/packages/bin" - -####################### -# Utilities -####################### - -COPY scripts $JUPYTER_HOME/scripts -COPY custom $JUPYTER_HOME/custom -COPY jupyter_notebook_config.py $JUPYTER_HOME - -# copy workspace_cromwell.py script and make it runnable by all users -# TODO why not move this script into this repo? -RUN curl -o /usr/local/bin/workspace_cromwell.py https://raw.githubusercontent.com/broadinstitute/cromwhelm/1ceedf89587cffd355f37401b179001f029f77ed/scripts/workspace_cromwell.py \ - && chmod +x /usr/local/bin/workspace_cromwell.py - -RUN chown -R $USER:users $JUPYTER_HOME \ - && find $JUPYTER_HOME/scripts -name '*.sh' -type f | xargs chmod +x \ - # You can get kernel directory by running `jupyter kernelspec list` - && $JUPYTER_HOME/scripts/kernel/kernelspec.sh $JUPYTER_HOME/scripts/kernel /opt/conda/share/jupyter/kernels - -# Run a `jupyter lab build` during the Docker image build step so users don't have to do it on their own -# The webpack build during `jupyter lab build` is memory intensive so give it access to more memory as well -RUN NODE_OPTIONS=--max-old-space-size=4096 jupyter lab build --minimize=True - -USER $USER -EXPOSE $JUPYTER_PORT -WORKDIR $HOME -# Note: this entrypoint is provided for running Jupyter independently of Leonardo. -# When Leonardo deploys this image onto a cluster, the entrypoint is overwritten to enable -# additional setup inside the container before execution. Jupyter execution occurs when the -# Leonardo init-actions.sh script uses 'docker exec' to call run-jupyter.sh. -ENTRYPOINT ["/opt/conda/bin/jupyter", "notebook"] +ENTRYPOINT ["/etc/jupyter/bin/jupyter", "notebook"] \ No newline at end of file diff --git a/terra-jupyter-base/pyproject.toml b/terra-jupyter-base/pyproject.toml new file mode 100644 index 00000000..8d99e162 --- /dev/null +++ b/terra-jupyter-base/pyproject.toml @@ -0,0 +1,379 @@ +[project] +name = "terra-jupyter-base" +version = "1.2.0" +description = "(less minimal) Jupyter environment for Terra notebooks" +readme = "README.md" +requires-python = ">=3.10, <3.11" +dependencies = [ + "absl-py>=2.4.0", + "aiofiles>=22.1.0", + "aiohttp>=3.13.5", + "aiohttp-cors>=0.8.1", + "aiosignal>=1.4.0", + "aiosqlite>=0.22.1", + "ansicolors>=1.1.8", + "anyio>=3.7.1", + "apache-beam>=2.72.0", + "appdirs>=1.4.4", + "archspec>=0.2.5", + "argon2-cffi>=25.1.0", + "argon2-cffi-bindings>=25.1.0", + "array-record>=0.8.1", + "arrow>=1.4.0", + 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+packages = [] +include-package-data = false + + diff --git a/terra-jupyter-python/Dockerfile b/terra-jupyter-python/Dockerfile index 8648b975..318af379 100644 --- a/terra-jupyter-python/Dockerfile +++ b/terra-jupyter-python/Dockerfile @@ -1,52 +1,45 @@ -FROM us.gcr.io/broad-dsp-gcr-public/terra-jupyter-base:1.1.4 +FROM --platform=linux/amd64 us.gcr.io/broad-dsp-gcr-public/terra-jupyter-base:1.2.0 +# need to run apt-get and other install commands as root, but switch back to jupyter user for running notebooks USER root -# This makes it so pip runs as root, not the user. -ENV PIP_USER=false + +SHELL ["/usr/bin/bash", "-o", "pipefail", "-c"] + +# Enables native Google Cloud Storage support in HTSlib +# Allows tools to directly read/write files from GCS buckets using gs:// URLs +ENV HTSLIB_CONFIGURE_OPTIONS="--enable-gcs" RUN apt-get update && apt-get install -yq --no-install-recommends \ + # packages specific to terra-jupyter-python \ python-tk \ - tk-dev \ - libssl-dev \ xz-utils \ libhdf5-dev \ openssl \ make \ liblzo2-dev \ - zlib1g-dev \ + liblzo2-2 \ libz-dev \ libcurl4-openssl-dev \ && apt-get clean \ && rm -rf /var/lib/apt/lists/* -ENV HTSLIB_CONFIGURE_OPTIONS="--enable-gcs" +# Copy image pyproject.toml and workspace uv.lock for reproducible builds +COPY terra-jupyter-base/pyproject.toml uv.lock ./ + + +# Install Python packages using UV with lock file for reproducibility +# Note: We install into the conda environment that the user's notebooks will use +# We need to explicitly install wheel and setuptools to avoid errors about missing these prerequisite packages during the general UV install +RUN uv pip install --python ${CONDA_ENV_HOME}/bin/python -r pyproject.toml --no-cache \ + && rm pyproject.toml uv.lock +# && sed -i 's/pandas.lib/pandas/g' ${CONDA_ENV_HOME}/lib/python3.10/site-packages/ggplot/stats/smoothers.py \ +# # the next few `sed` lines are workaround for a ggplot bug. See https://github.com/yhat/ggpy/issues/662 \ +# && sed -i 's/pandas.tslib.Timestamp/pandas.Timestamp/g' ${CONDA_ENV_HOME}/lib/python3.10/site-packages/ggplot/stats/smoothers.py \ +# && sed -i 's/pd.tslib.Timestamp/pd.Timestamp/g' ${CONDA_ENV_HOME}/lib/python3.10/site-packages/ggplot/stats/smoothers.py \ +# && sed -i 's/pd.tslib.Timestamp/pd.Timestamp/g' ${CONDA_ENV_HOME}/lib/python3.10/site-packages/ggplot/utils.py \ + # Cleanup \ +# && rm pyproject.toml uv.lock -COPY requirements.txt /etc/terra-docker/ - -# Dev note: in general, do not pin Python packages to any particular version. -# Depend on the smoke tests to help us identify any package incompatibilties. -# -# If we find that we do need to pin a package version, be sure to: -# 1) Add a comment saying what needs to be true for us to remove the pin. -# (e.g. link to an issue and put the details there) -# 2) If the smoke tests did not show the problem, add a new test case to improve -# test coverage for the identified problem. -RUN pip3 -V \ - && pip3 install --upgrade pip \ - && pip3 install --upgrade -r /etc/terra-docker/requirements.txt \ - && sed -i 's/pandas.lib/pandas/g' /opt/conda/lib/python3.10/site-packages/ggplot/stats/smoothers.py \ - # the next few `sed` lines are workaround for a ggplot bug. See https://github.com/yhat/ggpy/issues/662 - && sed -i 's/pandas.tslib.Timestamp/pandas.Timestamp/g' /opt/conda/lib/python3.10/site-packages/ggplot/stats/smoothers.py \ - && sed -i 's/pd.tslib.Timestamp/pd.Timestamp/g' /opt/conda/lib/python3.10/site-packages/ggplot/stats/smoothers.py \ - && sed -i 's/pd.tslib.Timestamp/pd.Timestamp/g' /opt/conda/lib/python3.10/site-packages/ggplot/utils.py - -RUN pip3 install --upgrade markupsafe==2.1.2 - -# Turn off beatrix-jupyterlab and bq_stats plugins, they don't activate cleanly in our version -# of jupyter and they're google-managed packages we don't have access to older versions of. -# Retain two plugins: google.cloud.bigquery and sql -RUN sed -i "s/^\( *'beatrix_jupyterlab',\)/#\1/g" /etc/ipython/ipython_kernel_config.py -RUN sed -i "s/^\( *'bq_stats',\)/#\1/g" /etc/ipython/ipython_kernel_config.py ENV USER=jupyter USER $USER @@ -59,4 +52,4 @@ ENV TF_ENABLE_ONEDNN_OPTS=1 # # When Leonardo deploys this image onto a cluster, the entrypoint is overwritten to enable # # additional setup inside the container before execution. Jupyter execution occurs when the # # init-actions.sh script uses 'docker exec' to call run-jupyter.sh. -ENTRYPOINT ["/opt/conda/bin/jupyter", "notebook"] +ENTRYPOINT ["/etc/jupyter/bin/jupyter", "notebook"] diff --git a/terra-jupyter-python/pyproject.toml b/terra-jupyter-python/pyproject.toml new file mode 100644 index 00000000..0efe90dd --- /dev/null +++ b/terra-jupyter-python/pyproject.toml @@ -0,0 +1,47 @@ +[project] +name = "terra-jupyter-python" +version = "1.1.14" +description = "Python environment for Terra notebooks with scientific computing packages" +readme = "README.md" +requires-python = ">=3.10, <3.11" +dependencies = [ + "biopython>=1.86", + "bokeh>=3.9.0", + "bx-python>=0.14.0", + "certifi>=2026.2.25", + "fastinterval>=0.1.1", + "html5lib>=1.1", + "jupyter-contrib-nbextensions==0.7.0", + "matplotlib-venn>=1.1.2", + "mizani==0.9.2", + "nbstripout>=0.8.1", + "packaging", + "pdoc3>=0.11.6", + "plotnine==0.10.1", + "py4j>=0.10.9.9", + "pyfasta>=0.5.2", + "pymc3>=3.11.4", + "pysam>=0.23.3", + "pyvcf3>=1.0.4", + "requests>=2.29.0", + "theano>=1.0.5", + "tqdm>=4.67.3", + "pandas-gbq>=0.34.1", + "google-cloud-bigquery-datatransfer>=3.22.0", + # Linux x86_64 only + "intel-openmp; sys_platform == 'linux' and platform_machine == 'x86_64'", + "mkl; sys_platform == 'linux' and platform_machine == 'x86_64'", + "scikit-learn-intelex; sys_platform == 'linux' and platform_machine == 'x86_64'", + "python-lzo; sys_platform == 'linux' and platform_machine == 'x86_64'", +] + +[tool.uv] +required-environments = ["sys_platform == 'linux' and platform_machine == 'x86_64'"] + +[build-system] +requires = ["setuptools>=70.3.0", "wheel>=0.45.1"] +build-backend = "setuptools.build_meta" + +[tool.setuptools] +packages = [] +include-package-data = false diff --git a/terra-jupyter-python/requirements.txt b/terra-jupyter-python/requirements.txt deleted file mode 100644 index 280a2a41..00000000 --- a/terra-jupyter-python/requirements.txt +++ /dev/null @@ -1,48 +0,0 @@ -py4j -pandas-gbq==0.17.9 -seaborn -python-lzo -# Hold back from the 3.0 upgrade, as it requires the BigQuery Storage API. 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