wip: build ascent docker example (#1347)

* add venv to ubuntu base

* docs fix

* add simplified docker example for ascent + jupyter (still wip)

* resolve confusion from stray file

* docker recipe adjustments

scripts/build_ascent/build_ascent.sh

@@ -711,7 +711,10 @@ if [ ! -d ${mfem_src_dir} ]; then
   tar ${tar_extra_args} -xzf ${mfem_tarball} -C ${source_dir}
 fi
 
-
+#
+# Note: MFEM MPI requires Hypre and Metis
+#  -DMFEM_USE_MPI=${enable_mpi} \
+
 echo "**** Configuring MFEM ${mfem_version}"
 cmake -S ${mfem_src_dir} -B ${mfem_build_dir} ${cmake_compiler_settings} \
   -DCMAKE_VERBOSE_MAKEFILE:BOOL=${enable_verbose}\

scripts/ci/docker/alpinedav_ubuntu_22.04_devel/Dockerfile

@@ -18,6 +18,7 @@ RUN apt-get update && apt-get -y install \
              python3 \
              python3-dev \
              python-is-python3 \
+             python3.10-venv \
              clang \
              llvm \
              perl \

src/docs/sphinx/Tutorial_CloverLeaf_Demos.rst

@@ -220,16 +220,16 @@ First you will need to install the ``ascent_jupyter_bridge`` python module locat
 
 .. code::
 
-   pip install -r requirements.txt
-   pip install .
+   python3 -m pip install -r requirements.txt
+   python3 -m ipykernel install
 
 
 If you are at a site that does SSL interception and can not configure your SSL certificates to avoid pip SSL errors, you can use the following:
 
 .. code::
 
-   pip install  --trusted-host pypi.org --trusted-host files.pythonhosted.org -r requirements.txt
-   pip install  --trusted-host pypi.org --trusted-host files.pythonhosted.org .
+   python3 -m pip install  --trusted-host pypi.org --trusted-host files.pythonhosted.org -r requirements.txt
+   python3 -m ipykernel install
 
 
 We will once again use the Cloverleaf3D Ascent integration, so make sure you are in the ``examples/ascent/proxies/cloverleaf3d`` directory of your Ascent install.

src/examples/docker/ubuntu-build-ascent/Dockerfile

@@ -0,0 +1,142 @@
+# Copyright (c) Lawrence Livermore National Security, LLC and other Ascent
+# Project developers. See top-level LICENSE AND COPYRIGHT files for dates and
+# other details. No copyright assignment is required to contribute to Ascent.
+
+#################################################
+# all in one build of ascent container w/ jupyter
+#################################################
+
+FROM ubuntu:22.04
+
+#####################
+# base deps
+#####################
+# add sudo to base ubuntu container
+# so we can install additional packages as
+# non-root, but admin default user on azure pipelines
+RUN apt-get update && apt-get -y install sudo
+# tzdata install wants to ask questions, so handled as sep case
+RUN DEBIAN_FRONTEND="noninteractive" apt-get -y install tzdata
+# install std packages
+RUN apt-get update && apt-get -y install \
+             binutils \
+             cmake \
+             gcc \
+             g++ \
+             gfortran \
+             python3 \
+             python3-dev \
+             python-is-python3 \
+             python3.10-venv \
+             clang \
+             llvm \
+             perl \
+             git \
+             git-lfs \
+             curl \
+             wget \
+             tar \
+             unzip \
+             file \
+             build-essential \
+             libncurses-dev \
+             libssl-dev \
+             libblas-dev \
+             liblapack-dev \
+             liblapacke-dev \
+             zlib1g-dev \
+             libgdbm-dev \
+             libreadline-dev \
+             libsqlite3-dev \
+             libbz2-dev \
+             mpich \
+             libmpich-dev \
+             openssh-server \
+             vim
+
+# nodejs is needed by jupyterlab for widgets
+RUN curl -sL https://deb.nodesource.com/setup_20.x | bash -
+RUN apt-get install -y nodejs
+RUN rm -rf /var/lib/apt/lists/*
+
+#####################
+# ascent build
+#####################
+
+# obtain a copy of ascent source from host env and extract
+COPY ascent.docker.src.tar.gz /
+RUN tar -xzf ascent.docker.src.tar.gz
+
+# change perms of source scripts
+RUN chmod -R a+rwX /ascent/
+RUN chmod +x /ascent/scripts/build_ascent/build_ascent.sh
+
+# copy docker specific build script in
+COPY docker_build_ascent.sh /
+RUN  ./docker_build_ascent.sh
+
+# ascent is installed at /install/ascent-checkout, symlink to /ascent/install
+RUN ln -s /install/ascent-checkout /ascent/install
+# symlink proxies for easy access next to jupyter notebooks
+RUN ln -s /ascent/install/examples/ascent/proxies/ /ascent/install/examples/ascent/tutorial/ascent_intro/notebooks/
+# symlink notebooks to shorter root path
+RUN ln -s /ascent/install/examples/ascent/tutorial/ascent_intro/notebooks/ /tutorial_notebooks
+
+# change perms of build results
+RUN chmod a+rwX /*.sh
+RUN chmod -R a+rwX /install/
+# setup perms for tutorial cleanup scripts
+RUN chmod 777 /ascent/install/examples/ascent/tutorial/ascent_intro/*/cleanup.sh
+
+# add env setup for login
+RUN cp /ascent_docker_setup_env.sh /etc/profile.d/ascent_docker_setup_env.sh
+
+# force the use of a login shell
+RUN /bin/echo -e '#!/bin/bash -l\n' \
+                 'exec "$@"\n' \
+                > /etc/entrypoint.sh && \
+        chmod a+x /etc/entrypoint.sh
+
+# set main
+ENTRYPOINT ["/etc/entrypoint.sh"]
+
+#####################
+# jupyter lab setup
+#####################
+
+# add our `user` with password `docker`
+RUN useradd -ms /bin/bash -G sudo user && echo "user:docker" | chpasswd
+# allow sudo w/o password
+RUN echo "user ALL=(root) NOPASSWD:ALL" > /etc/sudoers.d/user && \
+chmod 0440 /etc/sudoers.d/user
+
+# run the rest as `user`
+USER user
+WORKDIR /home/user
+
+# setup ssh keys for passwordless ssh to localhost
+RUN mkdir -p ~/.ssh
+RUN ssh-keygen -b 2048 -t rsa -f ~/.ssh/id_rsa -q -N ""
+RUN cat ~/.ssh/id_rsa.pub >> ~/.ssh/authorized_keys
+RUN chmod 0600 ~/.ssh/authorized_keys
+
+# setup jupyter password, the password is:
+#  learn
+RUN mkdir /home/user/.jupyter/
+RUN echo "c.NotebookApp.password = 'sha1:9777986fd066:283f673e1a311e2d5ef58c174eaebf3e1cb536dd'" > /home/user/.jupyter/jupyter_notebook_config.py
+
+# set bash as default jupyter shell
+RUN echo "c.NotebookApp.terminado_settings = { 'shell_command': ['/bin/bash'] }" >> /home/user/.jupyter/jupyter_notebook_config.py
+
+# gen script that allows us to easily run jupyter lab
+RUN cp /ascent_docker_setup_env.sh /home/user/ascent_docker_run_jupyterlab.sh
+RUN echo "jupyter lab --ip=\"0.0.0.0\" --no-browser" >> /home/user/ascent_docker_run_jupyterlab.sh
+
+# make sure helpers are executable
+RUN sudo chmod 777 /home/user/ascent_docker_run_jupyterlab.sh
+
+# open port 8888, for use by jupyter notebook http server
+EXPOSE 8888
+
+# default setup -- launch jupyter lab
+CMD sudo service ssh start && cd /tutorial_notebooks/ && /home/user/ascent_docker_run_jupyterlab.sh

src/examples/docker/ubuntu-build-ascent/build.sh

@@ -0,0 +1,15 @@
+#!/bin/bash
+# Copyright (c) Lawrence Livermore National Security, LLC and other Ascent
+# Project developers. See top-level LICENSE AND COPYRIGHT files for dates and
+# other details. No copyright assignment is required to contribute to Ascent.
+
+export REPO_NAME="ascent"
+export TAG_ARCH=`uname -m`
+export TAG_BASE=alpinedav/ascent:ascent-ubuntu-22.04-develop-${TAG_ARCH}
+
+date
+
+python3 ../../../../scripts/docker_build_and_tag.py ${REPO_NAME} ${TAG_ARCH} ${TAG_BASE}
+
+date
+

src/examples/docker/ubuntu-build-ascent/docker_build_ascent.sh

@@ -0,0 +1,38 @@
+#!/bin/bash
+set -ev
+
+env enable_python=ON \
+    enable_mpi=ON \
+    enable_FORTRAN=ON \
+    enable_openmp=ON \
+    build_pyvenv=true \
+    /ascent/scripts/build_ascent/build_ascent.sh
+
+# install extra python modules
+/install/python-venv/bin/python3 -m pip install \
+    --trusted-host pypi.org --trusted-host files.pythonhosted.org \
+    bash_kernel \
+    jupyter \
+    jupyterlab \
+    ipykernel \
+    pylint \
+    ipywidgets \
+    ipympl \
+    matplotlib \
+    pyyaml \
+    cinemasci \
+    scipy \
+    scikit-learn \
+    h5py \
+    llnl-hatchet
+
+cd /install/ascent-checkout/share/ascent/ascent_jupyter_bridge/ && \
+    /install/python-venv/bin/python3 -m ipykernel install
+
+conduit_py_path=`ls -d /install/conduit-*/python-modules`
+ascent_py_path=`ls -d /install/ascent-*/python-modules`
+vtkm_lib_path=`ls -d /install/vtk-m-*/lib`
+echo "export PATH=/install/python-venv/bin/:$PATH" >> /ascent_docker_setup_env.sh
+echo "export PYTHONPATH=${conduit_py_path}:${ascent_py_path}" >> /ascent_docker_setup_env.sh
+echo "export LD_LIBRARY_PATH=${vtkm_lib_path}" >> /ascent_docker_setup_env.sh
+