Sphinx API documentation framework

.github/workflows/ci.yml

@@ -0,0 +1,17 @@
+name: CI
+on:
+  push:
+    branches:
+      - main
+  workflow_dispatch: {}
+  pull_request:
+    types: [opened, synchronize]
+    branches:
+      - main
+
+jobs:
+  # docker-image:
+  #   uses: ./.github/workflows/docker.yml
+  api-doc:
+    # needs: [docker-image]
+    uses: ./.github/workflows/sphinx.yml

.github/workflows/docker.yml

@@ -0,0 +1,69 @@
+name: docker-image
+on:
+  workflow_call:
+
+env:
+  REGISTRY: ghcr.io
+  # github.repository as <account>/<repo>
+  IMAGE_NAME: LLNL/GPLaSDI/lasdi_env
+  DOCKERPATH: docker
+
+jobs:
+  docker-ci:
+    runs-on: ubuntu-latest
+    name: "docker env"
+    env:
+      DOCKERPATH: docker
+    steps:
+      - name: test command
+        run: echo "docker-ci command"
+      - uses: actions/checkout@v4
+        with:
+          fetch-depth: 0
+      - name: Set up QEMU
+        uses: docker/setup-qemu-action@v3
+      - name: Set up Docker Buildx
+        uses: docker/setup-buildx-action@v3
+      - uses: Ana06/[email protected]       
+        id: files
+      - name: DockerPATH configuration
+        run: echo "DOCKERPATH=$DOCKERPATH"
+      - name: DockerPATH - check if files in docker path changed
+        if: contains(steps.files.outputs.all,env.DOCKERPATH) || contains(steps.files.outputs.all,'docker.yml')
+        run: |
+          echo "CI container needs rebuilding..."
+          echo "CI_NEEDS_REBUILD=true" >> $GITHUB_ENV
+      - name: Log into registry ${{ env.REGISTRY }}
+        if: env.CI_NEEDS_REBUILD
+        uses: docker/login-action@v3
+        with:
+          registry: ${{ env.REGISTRY }}
+          username: ${{ github.actor }}
+          password: ${{ secrets.GITHUB_TOKEN }}
+      - name: Extract metadata (tags, labels) for Docker
+        id: meta
+        if: env.CI_NEEDS_REBUILD
+        uses: docker/metadata-action@v4
+        with:
+          images: ${{ env.REGISTRY }}/${{ env.IMAGE_NAME }}
+          tags: type=sha
+          flavor: latest=true
+      - name: Build Container motd
+        if: env.CI_NEEDS_REBUILD
+        run: |
+          echo "#!/bin/bash" > ${{env.DOCKERPATH}}/motd.sh
+          echo "echo --------------------------" >> ${{env.DOCKERPATH}}/motd.sh
+          echo "echo lasdi_env/CI Development Container"  >> ${{env.DOCKERPATH}}/motd.sh
+          echo "echo \"Revision: `echo ${GITHUB_SHA} | cut -c1-8`\"" >> ${{env.DOCKERPATH}}/motd.sh
+          echo "echo --------------------------" >> ${{env.DOCKERPATH}}/motd.sh
+          chmod 755 ${{env.DOCKERPATH}}/motd.sh
+          cat ${{env.DOCKERPATH}}/motd.sh
+      - name: Docker Image - Build and push
+        if: env.CI_NEEDS_REBUILD
+        uses: docker/build-push-action@v5
+        with:
+          push: true
+          context: ${{ env.DOCKERPATH }}
+          tags: ${{ steps.meta.outputs.tags }}
+          # platforms: linux/amd64,linux/arm64
+          platforms: linux/amd64

.github/workflows/sphinx.yml

@@ -0,0 +1,47 @@
+name: "Sphinx: Render docs"
+
+# on: push
+on:
+  workflow_call:
+
+jobs:
+  build:
+    runs-on: ubuntu-latest
+    # container:
+    #   image: ghcr.io/llnl/gplasdi/lasdi_env:latest
+    #   options: --user 1001 --privileged
+    #   volumes:
+    #     - /mnt:/mnt
+    permissions:
+      contents: write
+    steps:
+    - name: Cancel previous runs
+      uses: styfle/[email protected]
+      with:
+        access_token: ${{ github.token }}
+    - uses: actions/checkout@v4
+    - name: Build HTML
+      uses: ammaraskar/sphinx-action@master
+      with:
+        docs-folder: "docs/"
+        build-command: "sphinx-build -b html source build"
+        pre-build-command: "pip install --upgrade pip && pip install sphinx-autoapi sphinx_rtd_theme"
+      # run: |
+      #     sphinx-build --version
+      #     cd ${GITHUB_WORKSPACE}/docs
+      #     mkdir build
+      #     sphinx-build -b html source/ build/
+    - name: check resulting files
+      run: |
+          ls ${GITHUB_WORKSPACE}/docs/build
+    - name: Upload artifacts
+      uses: actions/upload-artifact@v4
+      with:
+        name: html-docs
+        path: docs/build/
+    - name: Deploy
+      uses: peaceiris/actions-gh-pages@v3
+      # if: github.ref == 'refs/heads/main'
+      with:
+        github_token: ${{ secrets.GITHUB_TOKEN }}
+        publish_dir: docs/build

.gitignore

@@ -7,3 +7,4 @@ examples/results
 examples/checkpoint
 *.npy
 build
+docs/build

docker/Dockerfile

@@ -0,0 +1,37 @@
+FROM ubuntu:22.04
+
+ENV ENVDIR=env
+
+# install sudo
+RUN apt-get -yq update && apt-get -yq install sudo
+
+WORKDIR /$ENVDIR
+
+# install packages
+RUN sudo apt-get install -yq git
+RUN sudo apt-get install --no-install-recommends -yq make gcc gfortran libssl-dev cmake
+RUN sudo apt-get install -yq libopenblas-dev libmpich-dev libblas-dev liblapack-dev libscalapack-mpi-dev libhdf5-mpi-dev hdf5-tools
+# RUN sudo apt-get install -yq vim
+RUN sudo apt-get install -yq git-lfs
+# RUN sudo apt-get install -yq valgrind
+RUN sudo apt-get install -yq wget
+# RUN sudo apt-get install -yq astyle
+
+# install python
+RUN sudo apt-get install -yq python3
+RUN sudo apt-get install -yq python3-dev
+RUN sudo apt-get install -yq python3-pip
+RUN sudo apt-get install python-is-python3
+RUN sudo python -m pip install --upgrade pip
+RUN sudo python -m pip install sphinx sphinx-autoapi sphinx_rtd_theme
+#RUN sudo pip3 install numpy scipy argparse tables PyYAML h5py pybind11 pytest mpi4py merlin
+#
+RUN sudo apt-get clean -q
+
+# create and switch to a user
+ENV USERNAME=test
+RUN echo "$USERNAME ALL=(ALL) NOPASSWD:ALL" >> /etc/sudoers
+RUN useradd --no-log-init -u 1001 --create-home --shell /bin/bash $USERNAME
+RUN adduser $USERNAME sudo
+USER $USERNAME
+WORKDIR /home/$USERNAME

docs/Makefile

@@ -0,0 +1,20 @@
+# Minimal makefile for Sphinx documentation
+#
+
+# You can set these variables from the command line, and also
+# from the environment for the first two.
+SPHINXOPTS    ?=
+SPHINXBUILD   ?= sphinx-build
+SOURCEDIR     = source
+BUILDDIR      = build
+
+# Put it first so that "make" without argument is like "make help".
+help:
+	@$(SPHINXBUILD) -M help "$(SOURCEDIR)" "$(BUILDDIR)" $(SPHINXOPTS) $(O)
+
+.PHONY: help Makefile
+
+# Catch-all target: route all unknown targets to Sphinx using the new
+# "make mode" option.  $(O) is meant as a shortcut for $(SPHINXOPTS).
+%: Makefile
+	@$(SPHINXBUILD) -M $@ "$(SOURCEDIR)" "$(BUILDDIR)" $(SPHINXOPTS) $(O)

docs/make.bat

@@ -0,0 +1,35 @@
+@ECHO OFF
+
+pushd %~dp0
+
+REM Command file for Sphinx documentation
+
+if "%SPHINXBUILD%" == "" (
+	set SPHINXBUILD=sphinx-build
+)
+set SOURCEDIR=source
+set BUILDDIR=build
+
+%SPHINXBUILD% >NUL 2>NUL
+if errorlevel 9009 (
+	echo.
+	echo.The 'sphinx-build' command was not found. Make sure you have Sphinx
+	echo.installed, then set the SPHINXBUILD environment variable to point
+	echo.to the full path of the 'sphinx-build' executable. Alternatively you
+	echo.may add the Sphinx directory to PATH.
+	echo.
+	echo.If you don't have Sphinx installed, grab it from
+	echo.https://www.sphinx-doc.org/
+	exit /b 1
+)
+
+if "%1" == "" goto help
+
+%SPHINXBUILD% -M %1 %SOURCEDIR% %BUILDDIR% %SPHINXOPTS% %O%
+goto end
+
+:help
+%SPHINXBUILD% -M help %SOURCEDIR% %BUILDDIR% %SPHINXOPTS% %O%
+
+:end
+popd

docs/source/conf.py

@@ -0,0 +1,42 @@
+# Configuration file for the Sphinx documentation builder.
+#
+# For the full list of built-in configuration values, see the documentation:
+# https://www.sphinx-doc.org/en/master/usage/configuration.html
+
+# -- Project information -----------------------------------------------------
+# https://www.sphinx-doc.org/en/master/usage/configuration.html#project-information
+
+import os, sys
+sys.path.insert(0, os.path.abspath('.'))
+sys.path.insert(0, os.path.abspath('..'))
+sys.path.insert(0, os.path.abspath('../../src'))
+
+project = 'LaSDI'
+copyright = '2023-2024, Lawrence Livermore National Security, LLC and other LaSDI project developers.'
+author = 'Christophe Bonneville, Kevin Chung, Youngsoo Choi'
+release = '2.0'
+
+# -- General configuration ---------------------------------------------------
+# https://www.sphinx-doc.org/en/master/usage/configuration.html#general-configuration
+
+extensions = [
+    'autoapi.extension',
+    'sphinx.ext.napoleon',
+]
+
+autoapi_dirs = ['../../src']
+
+napoleon_google_docstring = False
+napoleon_use_param = False
+napoleon_use_ivar = True
+
+templates_path = ['_templates']
+exclude_patterns = []
+
+
+
+# -- Options for HTML output -------------------------------------------------
+# https://www.sphinx-doc.org/en/master/usage/configuration.html#options-for-html-output
+
+html_theme = 'sphinx_rtd_theme'
+html_static_path = ['_static']

docs/source/index.rst

@@ -0,0 +1,27 @@
+.. LaSDI documentation master file, created by
+   sphinx-quickstart on Wed Oct 16 22:11:53 2024.
+   You can adapt this file completely to your liking, but it should at least
+   contain the root `toctree` directive.
+
+LaSDI documentation
+===================
+
+LaSDI is a light-weight python package for Latent Space Dynamics Identification.
+LaSDI maps full-order PDE solutions to a latent space using autoencoders and learns the system of ODEs governing the latent space dynamics.
+By interpolating and solving the ODE system in the reduced latent space, fast and accurate ROM predictions can be made by feeding the predicted latent space dynamics into the decoder.
+It also supports parametric interpolation of latent dynamics according to uncertainties evaluated via Gaussian process.
+
+.. toctree::
+   :maxdepth: 2
+   :caption: Contents:
+
+References
+===================
+
+* Bonneville, Christophe, Xiaolong He, April Tran, Jun Sur Park, William Fries, Daniel A. Messenger, Siu Wun Cheung et al. "A Comprehensive Review of Latent Space Dynamics Identification Algorithms for Intrusive and Non-Intrusive Reduced-Order-Modeling." arXiv preprint arXiv:2403.10748 (2024).
+* Fries, William D., Xiaolong He, and Youngsoo Choi. "LaSDI: Parametric latent space dynamics identification." Computer Methods in Applied Mechanics and Engineering 399 (2022): 115436.
+* He, Xiaolong, Youngsoo Choi, William D. Fries, Jonathan L. Belof, and Jiun-Shyan Chen. "gLaSDI: Parametric physics-informed greedy latent space dynamics identification." Journal of Computational Physics 489 (2023): 112267.
+* Tran, April, Xiaolong He, Daniel A. Messenger, Youngsoo Choi, and David M. Bortz. "Weak-form latent space dynamics identification." Computer Methods in Applied Mechanics and Engineering 427 (2024): 116998.
+* Park, Jun Sur Richard, Siu Wun Cheung, Youngsoo Choi, and Yeonjong Shin. "tLaSDI: Thermodynamics-informed latent space dynamics identification." arXiv preprint arXiv:2403.05848 (2024).
+* Bonneville, Christophe, Youngsoo Choi, Debojyoti Ghosh, and Jonathan L. Belof. "Gplasdi: Gaussian process-based interpretable latent space dynamics identification through deep autoencoder." Computer Methods in Applied Mechanics and Engineering 418 (2024): 116535.
+* He, Xiaolong, April Tran, David M. Bortz, and Youngsoo Choi. "Physics-informed active learning with simultaneous weak-form latent space dynamics identification." arXiv preprint arXiv:2407.00337 (2024).

pyproject.toml

@@ -1,6 +1,6 @@
 [project]
 name = "lasdi"
-version = "2.0.0-dev"
+version = "2.0.0"
 authors = [
   { name="Christophe Bonneville", email="[email protected]" },
   { name="Kevin (Seung Whan) Chung", email="[email protected]" },

src/lasdi/inputs.py

@@ -47,7 +47,7 @@ def getDictFromList(list_, inputDict):
     '''
         get a dict with {key: val} from a list of dicts
         NOTE: it returns only the first item in the list,
-            even if the list has more than one dict with {key: val}.
+        even if the list has more than one dict with {key: val}.
     '''
     dict_ = None
     for item in list_: