Add starts of viz work to container, along with working mpi4py jupyte…

…r example.

.devcontainer/Dockerfile

@@ -38,8 +38,23 @@ RUN mkdir /opt/spack-environment \
 # This is manual, and required to build Ipopt
 COPY coinhsl-archive-2019.05.21.tar.gz /opt/spack-environment/coinhsl-archive-2019.05.21.tar.gz
 
+# Find external packages
+RUN cd /opt/spack-environment && spack env activate . && spack external find --all
+
 # Do this separate of install to cache keys...
-RUN spack mirror add develop https://binaries.spack.io/develop && spack buildcache keys --install --trust
+RUN cd /opt/spack-environment && spack env activate . && spack mirror add develop https://binaries.spack.io/develop && spack buildcache keys --install --trust && spack concretize -f && spack mirror create -a
+
+# Install Ipopt w/ CoinHSL (and other deps) in stages to cache builds
+RUN cd /opt/spack-environment && spack env activate . && spack install --fail-fast ipopt
+
+# Install PETSc 
+RUN cd /opt/spack-environment && spack env activate . && spack install --fail-fast petsc
+
+# Install py-jupyterlab
+RUN cd /opt/spack-environment && spack env activate . && spack install --fail-fast py-jupyterlab
+
+# Install py-ipyparallel
+RUN cd /opt/spack-environment && spack env activate . && spack install --fail-fast py-ipyparallel
 
 # Install the software, remove unnecessary deps
 RUN cd /opt/spack-environment && spack env activate . && spack install --fail-fast && spack gc -y
@@ -87,14 +102,14 @@ RUN echo "source /entrypoint.sh" >> /home/vscode/.bashrc
 RUN . /entrypoint.sh && \
        python3 -m ipykernel install \
         --name py311-exago \
-        --display-name ExaGO \
+        --display-name "ExaGO" \
         --prefix=
 
 # Install the mpi4py Jupyter kernel
 RUN . /entrypoint.sh && \
        python3 -m ipykernel install \
         --name py311-mpi4py-exago \
-        --display-name ExaGO w/ MPI \
+        --display-name "ExaGO w/ MPI" \
         --prefix=
 
 # Make modifications that are necessary to run mpi4py in kernelspec

.devcontainer/create_dockerfile_devcontainer.sh

@@ -80,8 +80,17 @@ spack containerize > ./.devcontainer/Dockerfile
 # Add Docker command before "# Install" that copies CoinHSL into image
 sed -i "" "s|# Install the software|# This is manual, and required to build Ipopt\nCOPY coinhsl-archive-2019.05.21.tar.gz /opt/spack-environment/coinhsl-archive-2019.05.21.tar.gz\n\n# Install the software|" ./.devcontainer/Dockerfile
 
-# Also trusts the build cache
-sed -i "" "s|# Install the software|# Do this separate of install to cache keys...\nRUN spack mirror add develop https://binaries.spack.io/develop \&\& spack buildcache keys --install --trust\n\n# Install the software|" ./.devcontainer/Dockerfile
+# Find external packages
+sed -i "" "s|# Install the software|# Find external packages\nRUN cd /opt/spack-environment \&\& spack env activate . \&\& spack external find --all\n\n# Install the software|" ./.devcontainer/Dockerfile
+
+# Also trusts the build cache and create source mirror
+sed -i "" "s|# Install the software|# Do this separate of install to cache keys...\nRUN cd /opt/spack-environment \&\& spack env activate . \&\& spack mirror add develop https://binaries.spack.io/develop \&\& spack buildcache keys --install --trust \&\& spack concretize -f \&\& spack mirror create -a\n\n# Install the software|" ./.devcontainer/Dockerfile
+
+# Install Ipopt and packages in separate stages to cache builds
+sed -i "" "s|# Install the software|# Install Ipopt w/ CoinHSL (and other deps) in stages to cache builds\nRUN cd /opt/spack-environment \&\& spack env activate . \&\& spack install --fail-fast ipopt\n\n# Install the software|" ./.devcontainer/Dockerfile
+sed -i "" "s|# Install the software|# Install PETSc \nRUN cd /opt/spack-environment \&\& spack env activate . \&\& spack install --fail-fast petsc\n\n# Install the software|" ./.devcontainer/Dockerfile
+sed -i "" "s|# Install the software|# Install py-jupyterlab\nRUN cd /opt/spack-environment \&\& spack env activate . \&\& spack install --fail-fast py-jupyterlab\n\n# Install the software|" ./.devcontainer/Dockerfile
+sed -i "" "s|# Install the software|# Install py-ipyparallel\nRUN cd /opt/spack-environment \&\& spack env activate . \&\& spack install --fail-fast py-ipyparallel\n\n# Install the software|" ./.devcontainer/Dockerfile
 
 # Configure environment for VSCode User in devcontainer
 echo "# Make sure devcontainer user gets spack packages" >> ./.devcontainer/Dockerfile
@@ -93,7 +102,7 @@ echo "# Install the Jupyter kernel" >> ./.devcontainer/Dockerfile
 echo "RUN . /entrypoint.sh && \\" >> ./.devcontainer/Dockerfile
 echo "       python3 -m ipykernel install \\" >> ./.devcontainer/Dockerfile
 echo "        --name py311-exago \\" >> ./.devcontainer/Dockerfile
-echo "        --display-name "ExaGO" \\" >> ./.devcontainer/Dockerfile
+echo "        --display-name \"ExaGO\" \\" >> ./.devcontainer/Dockerfile
 echo "        --prefix=$(which jupyter)" >> ./.devcontainer/Dockerfile
 
 # Install the mpi4py Jupyter kernel
@@ -102,7 +111,7 @@ echo "# Install the mpi4py Jupyter kernel" >> ./.devcontainer/Dockerfile
 echo "RUN . /entrypoint.sh && \\" >> ./.devcontainer/Dockerfile
 echo "       python3 -m ipykernel install \\" >> ./.devcontainer/Dockerfile
 echo "        --name py311-mpi4py-exago \\" >> ./.devcontainer/Dockerfile
-echo "        --display-name "ExaGO w/ MPI" \\" >> ./.devcontainer/Dockerfile
+echo "        --display-name \"ExaGO w/ MPI\" \\" >> ./.devcontainer/Dockerfile
 echo "        --prefix=$(which jupyter)" >> ./.devcontainer/Dockerfile
 
 # Modify mpi4py kernel to actually launch process with mpiexec
@@ -114,4 +123,3 @@ echo "RUN sed -i 's/\\\"\/opt\/views\/view\/bin\/python3\\\"/\\\"mpiexec\\\", \\
 echo "" >> ./.devcontainer/Dockerfile
 echo "# Configure user for container" >> ./.devcontainer/Dockerfile
 echo "USER vscode" >> ./.devcontainer/Dockerfile
-

.devcontainer/devcontainer.json

@@ -15,5 +15,6 @@
 		}
 	},
 	"workspaceFolder": "/home/app/",
+  	"postCreateCommand": "cd /home/app/viz && export CXX=$(which gcc) && npm install",
     "workspaceMount": "source=${localWorkspaceFolder},target=/home/app/,type=bind,consistency=cached"
-}
+}