From d939f6e6b933b15aeb5d28111b655e96332bf592 Mon Sep 17 00:00:00 2001 From: Henry Schreiner Date: Thu, 28 May 2026 17:26:05 -0400 Subject: [PATCH 1/2] refactor: migrate from Jupyter Book to MyST MD Replace jupyter-book with mystmd for building the course site. - Create myst.yml consolidating _config.yml and _toc.yml into the MyST MD native configuration format - Update pixi.toml: swap jupyter-book/sphinxcontrib-mermaid for mystmd, change build commands to myst build --execute --html - Update environment.yml to match pixi.toml dependency changes - Remove _config.yml and _toc.yml (replaced by myst.yml) - Remove noxfile.py book session (building now via pixi only) - Update cd.yml artifact name from jupyterbook to myst-site - Update AGENTS.md to reflect new tooling and config Assisted-by: OpenCode:glm-5 --- .github/workflows/cd.yml | 4 +- .gitignore | 4 + AGENTS.md | 52 + _config.yml | 51 - _toc.yml | 88 - content/week03_git/intro.md | 2 +- .../02-cpython/02-cpython.ipynb | 2 +- .../week10_binding/03-pybind/03b-pybind.ipynb | 4 +- environment.yml | 3 +- myst.yml | 97 + noxfile.py | 34 - pixi.lock | 15704 +++++++--------- pixi.toml | 10 +- 13 files changed, 6614 insertions(+), 9441 deletions(-) create mode 100644 AGENTS.md delete mode 100644 _config.yml delete mode 100644 _toc.yml create mode 100644 myst.yml diff --git a/.github/workflows/cd.yml b/.github/workflows/cd.yml index e66cbdb..8e10a4d 100644 --- a/.github/workflows/cd.yml +++ b/.github/workflows/cd.yml @@ -30,7 +30,7 @@ jobs: - uses: actions/upload-artifact@v7 with: - name: jupyterbook + name: myst-site path: _build/html/* build-pyodide: @@ -75,7 +75,7 @@ jobs: - uses: actions/download-artifact@v8 with: - name: jupyterbook + name: myst-site path: public - uses: actions/download-artifact@v8 diff --git a/.gitignore b/.gitignore index b1bbbb9..296694b 100644 --- a/.gitignore +++ b/.gitignore @@ -195,6 +195,10 @@ a.out compile_flags.txt Untitled* content/week*/06-rust/Cargo.lock +content/week09_compiled/hello +content/week09_compiled/mult +content/week09_compiled/power +content/week09_compiled/ramses/ _output/Volumes *.doit.db diff --git a/AGENTS.md b/AGENTS.md new file mode 100644 index 0000000..83a6818 --- /dev/null +++ b/AGENTS.md @@ -0,0 +1,52 @@ +# AGENTS.md + +MyST MD course site for *Software Engineering for Scientific Computing*. + +## Build & run + +| Target | Command | +|--------|---------| +| Book (with pixi) | `pixi run book` | +| Pyodide / JupyterLite | `nox -s pyodide` | +| Slides | `npx @marp-team/marp-cli@latest --input-dir slides --output _output` | +| Live dev server (JupyterLab) | `pixi run lab` | + +- `pixi run book` installs a user-wide ipykernel (`conda-env-se-for-sci-py`) and builds the site using `myst build --execute --html`. It sets `PYDEVD_DISABLE_FILE_VALIDATION=1`. +- `mystmd` is configured to **execute all notebooks** on every build (`--execute` flag). +- Only files listed in the `toc` section of `myst.yml` are included in the build. The `notes/` directory is explicitly excluded and contains instructor notes—do not reference it as book content. + +## Environment + +- **Pixi** (`pixi.toml`) is the primary package manager. `environment.yml` duplicates the same Conda dependencies and should be kept in sync. +- `pixi.lock` is checked in. +- Nox sessions use `uv|virtualenv` by default (`nox.options.default_venv_backend`). + +## Content structure + +- `content/` — Book chapters (mix of `.md` and `.ipynb`). +- `slides/` — Marp slide decks. These are rendered by CI and deployed to `public/slides`. +- `notes/` — Instructor notes; not built into the book. +- `myst.yml` drives the project configuration and table of contents. + +## Lint / format / pre-commit + +- Always use `prek -a --quiet` instead of `pre-commit run -a`. +- Hooks include: ruff-format, blacken-docs, nbstripout, prettier, codespell, blocklint, plus a **custom `disallow-caps` hook** that rejects `PyBind`, `Numpy`, `Cmake`, `CCache`, `Github`, `PyTest`. +- Prettier config (`.prettierrc.toml`): prose wraps at 80 chars by default, **but never for `slides/*.md`**. + +## CI / deploy + +`.github/workflows/cd.yml` builds three artifacts and deploys to GitHub Pages on push to `main`: +1. Book via `pixi run book` (mystmd). +2. Pyodide via `uvx nox -s pyodide`. +3. Slides via `npx @marp-team/marp-cli@latest ...`. + +## Generated / ignored artifacts + +- Many `content/week*/` subdirs contain compiled examples (C++, Rust, Fortran). Build artifacts (`.so`, `.o`, `CMakeLists.txt`, `pyproject.toml`, etc.) inside those dirs are gitignored. +- `_build/`, `_output/`, `.nox/`, `.pixi/`, `.ipynb_checkpoints` are ignored. + +## Nox bump helpers + +- `nox -s pc_bump` — bumps pre-commit versions embedded in course markdown (searches `content/**/*.md`). +- `nox -s gha_bump` — bumps GitHub Actions versions embedded in course markdown. diff --git a/_config.yml b/_config.yml deleted file mode 100644 index f5461ec..0000000 --- a/_config.yml +++ /dev/null @@ -1,51 +0,0 @@ -# Book settings -# Learn more at https://jupyterbook.org/customize/config.html - -title: Software Engineering For Scientific Computing -author: Henry Schreiner, Romain Teyssier -logo: logo.png - -# Force re-execution of notebooks on each build. -# See https://jupyterbook.org/content/execute.html -execute: - execute_notebooks: force - -# Define the name of the latex output file for PDF builds -latex: - latex_documents: - targetname: se-for-sci.tex - -# Information about where the book exists on the web -repository: - url: https://github.com/se-for-sci/se-for-sci.github.io - branch: main - -# Add GitHub buttons to your book -# See https://jupyterbook.org/customize/config.html#add-a-link-to-your-repository -html: - use_issues_button: false - use_repository_button: true - -only_build_toc_files: true -exclude_patterns: - - "**.*cache" - - "**.ipynb_checkpoints" - - "**.nox" - - "**.pixi" - - "**.virtual_documents" - - .DS_Store - - Thumbs.db - - "**/_build" - - "**/build" - - notes - -sphinx: - extra_extensions: - - sphinxcontrib.mermaid - config: - nb_execution_show_tb: True - copybutton_prompt_text: '\$ ' - copybutton_prompt_is_regexp: true - copybutton_only_copy_prompt_lines: true - html_theme_options: - navigation_with_keys: false diff --git a/_toc.yml b/_toc.yml deleted file mode 100644 index 8220139..0000000 --- a/_toc.yml +++ /dev/null @@ -1,88 +0,0 @@ -# Table of contents -# Learn more at https://jupyterbook.org/customize/toc.html - -format: jb-book -root: content/intro -parts: - - caption: "Week 1: Intro" - chapters: - - file: content/week01_intro/intro.md - - file: content/week01_intro/setup.md - - file: content/week01_intro/vcs.md - - file: content/week01_intro/programming_basics.ipynb - - file: content/week01_intro/practices.md - - file: content/week01_intro/cleanup_bessel.ipynb - - file: content/week01_intro/python_setup.md - - - caption: "Week 2: Testing" - chapters: - - file: content/week02_testing/testing.md - - file: content/week02_testing/pytest.md - - file: content/week02_testing/tdd.md - - file: content/week02_testing/debugging.md - - - caption: "Week 3: Version Control" - chapters: - - file: content/week03_git/intro.md - - file: content/week03_git/first_steps.md - - file: content/week03_git/advanced_steps.md - - - caption: "Week 4: Packaging and Quality Control" - chapters: - - file: content/week04_package/packaging.md - - file: content/week04_package/using_packages.md - - file: content/week04_package/making_a_package.md - - file: content/week04_package/precommit.md - - file: content/week04_package/task_runners.md - - - caption: "Week 5: Continuous Integration" - chapters: - - file: content/week05_ci/ci.md - - file: content/week05_ci/cd.md - - file: content/week05_ci/docs.md - - - caption: "Week 6: Object Oriented design" - chapters: - - file: content/week06_oop/introoo.md - - file: content/week06_oop/oodesign.md - - - caption: "Week 7: Design Patterns" - chapters: - - file: content/week07_design/designpatt.md - - file: content/week07_design/functional.md - - - caption: "Week 8: Static Typing & Profiling" - chapters: - - file: content/week08_static_typing/typing.md - - - caption: "Week 9: Intro to Compilation" - chapters: - - file: content/week09_compiled/Compiled_Languages.ipynb - - file: content/week09_compiled/rust_example/compiled.md - - file: content/week09_compiled/rust_example/rust.md - - file: content/week09_compiled/debugging.md - - file: content/week09_compiled/profiling.md - - - caption: "Week 10: Mixing Languages" - chapters: - - file: content/week10_binding/01-shared-objects/01-shared-objects.ipynb - - file: content/week10_binding/02-cpython/02-cpython.ipynb - - file: content/week10_binding/03-pybind/03a-pybind.ipynb - - file: content/week10_binding/03-pybind/03b-pybind.ipynb - - file: content/week10_binding/06-rust.md - - - caption: "Week 11: Parallel Computing" - chapters: - - file: content/week11_omp/intro.md - - file: content/week11_omp/openmp.md - - file: content/week11_omp/threading.md - - file: content/week11_omp/concepts.md - - - caption: "Week 12: GPUs" - chapters: - - file: content/week12_mpi/mpi.md - - - caption: "Bonus: Exotic topics" - chapters: - - file: content/week13_misc/webassembly.md - - file: content/week13_misc/shell.md diff --git a/content/week03_git/intro.md b/content/week03_git/intro.md index a575b1c..3b19005 100644 --- a/content/week03_git/intro.md +++ b/content/week03_git/intro.md @@ -21,7 +21,7 @@ Old school techniques are usually bad. complex - Disaster recover is a disaster. - - Oh F#@K! Did I just overwrite all my work from last night??!!!? + - Oh F#\@K! Did I just overwrite all my work from last night??!!!? ![title](phd101212s.png) diff --git a/content/week10_binding/02-cpython/02-cpython.ipynb b/content/week10_binding/02-cpython/02-cpython.ipynb index 5ce9c8e..9417c70 100644 --- a/content/week10_binding/02-cpython/02-cpython.ipynb +++ b/content/week10_binding/02-cpython/02-cpython.ipynb @@ -207,7 +207,7 @@ "metadata": {}, "outputs": [], "source": [ - "!python3 setup.py build_ext --inplace" + "!{sys.executable} setup.py build_ext --inplace" ] }, { diff --git a/content/week10_binding/03-pybind/03b-pybind.ipynb b/content/week10_binding/03-pybind/03b-pybind.ipynb index 9b70450..00321b2 100644 --- a/content/week10_binding/03-pybind/03b-pybind.ipynb +++ b/content/week10_binding/03-pybind/03b-pybind.ipynb @@ -169,7 +169,7 @@ }, "outputs": [], "source": [ - "!cmake -GNinja -S . -B build\n", + "!cmake -GNinja -S . -B build -DCMAKE_POLICY_VERSION_MINIMUM=3.10\n", "!cmake --build build" ] }, @@ -537,7 +537,7 @@ }, "outputs": [], "source": [ - "!{sys.executable} -m pip wheel . -v" + "!{sys.executable} -m pip wheel . -v -Ccmake.define.CMAKE_POLICY_VERSION_MINIMUM=3.10" ] }, { diff --git a/environment.yml b/environment.yml index c5ad54a..1426437 100644 --- a/environment.yml +++ b/environment.yml @@ -8,7 +8,7 @@ dependencies: - ipykernel >=6.0 - ipython >=8.0 - ipywidgets * - - jupyter-book * + - mystmd * - jupyterlab >=3 - line_profiler * - matplotlib >=3.5 @@ -23,5 +23,4 @@ dependencies: - rich >=11 - scikit-build-core >=0.8 - scipy * - - sphinxcontrib-mermaid * - ninja >=1.10 diff --git a/myst.yml b/myst.yml new file mode 100644 index 0000000..4dcffcd --- /dev/null +++ b/myst.yml @@ -0,0 +1,97 @@ +version: 1 +project: + title: Software Engineering For Scientific Computing + authors: + - name: Henry Schreiner + - name: Romain Teyssier + copyright: "Copyright 2022" + exclude: + - notes + - slides + - "**.*cache" + - "**.ipynb_checkpoints" + - "**.nox" + - "**.pixi" + - "**.virtual_documents" + - .DS_Store + - Thumbs.db + - "content/week10_binding/03-pybind/build" + settings: + output_stderr: remove-warn + output_matplotlib_strings: remove + toc: + - file: content/intro.md + - title: "Week 1: Intro" + children: + - file: content/week01_intro/intro.md + - file: content/week01_intro/setup.md + - file: content/week01_intro/vcs.md + - file: content/week01_intro/programming_basics.ipynb + - file: content/week01_intro/practices.md + - file: content/week01_intro/cleanup_bessel.ipynb + - file: content/week01_intro/python_setup.md + - title: "Week 2: Testing" + children: + - file: content/week02_testing/testing.md + - file: content/week02_testing/pytest.md + - file: content/week02_testing/tdd.md + - file: content/week02_testing/debugging.md + - title: "Week 3: Version Control" + children: + - file: content/week03_git/intro.md + - file: content/week03_git/first_steps.md + - file: content/week03_git/advanced_steps.md + - title: "Week 4: Packaging and Quality Control" + children: + - file: content/week04_package/packaging.md + - file: content/week04_package/using_packages.md + - file: content/week04_package/making_a_package.md + - file: content/week04_package/precommit.md + - file: content/week04_package/task_runners.md + - title: "Week 5: Continuous Integration" + children: + - file: content/week05_ci/ci.md + - file: content/week05_ci/cd.md + - file: content/week05_ci/docs.md + - title: "Week 6: Object Oriented design" + children: + - file: content/week06_oop/introoo.md + - file: content/week06_oop/oodesign.md + - title: "Week 7: Design Patterns" + children: + - file: content/week07_design/designpatt.md + - file: content/week07_design/functional.md + - title: "Week 8: Static Typing & Profiling" + children: + - file: content/week08_static_typing/typing.md + - title: "Week 9: Intro to Compilation" + children: + - file: content/week09_compiled/Compiled_Languages.ipynb + - file: content/week09_compiled/rust_example/compiled.md + - file: content/week09_compiled/rust_example/rust.md + - file: content/week09_compiled/debugging.md + - file: content/week09_compiled/profiling.md + - title: "Week 10: Mixing Languages" + children: + - file: content/week10_binding/01-shared-objects/01-shared-objects.ipynb + - file: content/week10_binding/02-cpython/02-cpython.ipynb + - file: content/week10_binding/03-pybind/03a-pybind.ipynb + - file: content/week10_binding/03-pybind/03b-pybind.ipynb + - file: content/week10_binding/06-rust.md + - title: "Week 11: Parallel Computing" + children: + - file: content/week11_omp/intro.md + - file: content/week11_omp/openmp.md + - file: content/week11_omp/threading.md + - file: content/week11_omp/concepts.md + - title: "Week 12: GPUs" + children: + - file: content/week12_mpi/mpi.md + - title: "Bonus: Exotic topics" + children: + - file: content/week13_misc/webassembly.md + - file: content/week13_misc/shell.md +site: + actions: + - title: Source Repository + url: https://github.com/se-for-sci/se-for-sci.github.io diff --git a/noxfile.py b/noxfile.py index 5235fc3..29f4b2b 100644 --- a/noxfile.py +++ b/noxfile.py @@ -28,40 +28,6 @@ def pyodide(session: nox.Session) -> None: session.run("jupyter", "lite", "serve") -@nox.session(reuse_venv=True) -def book(session: nox.Session) -> None: - session.install( - "black", - "cattrs", - "cffi", - "ipykernel", - "ipython", - "ipywidgets", - "jupyter-book", - "matplotlib", - "numba", - "numpy", - "pandas", - "pybind11", - "pytest", - "rich", - "scikit-build-core", - "sphinxcontrib-mermaid", - ) - env = {"PYDEVD_DISABLE_FILE_VALIDATION": "1"} - session.run( - "python", - "-m", - "ipykernel", - "install", - "--user", - "--name", - "conda-env-se-for-sci-py", - env=env, - ) - session.run("jupyter-book", "build", ".", env=env) - - PC_VERS = re.compile( r"""\ ^( *)- repo: (.*?) diff --git a/pixi.lock b/pixi.lock index acabc36..cca92aa 100644 --- a/pixi.lock +++ b/pixi.lock @@ -1,9263 +1,6457 @@ -version: 5 +version: 7 +platforms: +- name: linux-64 +- name: osx-64 +- name: osx-arm64 environments: default: channels: - - url: https://conda.anaconda.org/conda-forge/ + - url: https://conda.anaconda.org/conda-forge/ packages: linux-64: - - conda: https://conda.anaconda.org/conda-forge/linux-64/_libgcc_mutex-0.1-conda_forge.tar.bz2 - - conda: https://conda.anaconda.org/conda-forge/linux-64/_openmp_mutex-4.5-2_gnu.tar.bz2 - - conda: https://conda.anaconda.org/conda-forge/noarch/accessible-pygments-0.0.5-pyhd8ed1ab_0.conda - 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__osx >=11.0 + - libzlib >=1.3.1,<2.0a0 + license: BSD-3-Clause + license_family: BSD + size: 433413 + timestamp: 1764777166076 diff --git a/pixi.toml b/pixi.toml index a0dabd9..3cf874f 100644 --- a/pixi.toml +++ b/pixi.toml @@ -1,4 +1,4 @@ -[project] +[workspace] name = "se-for-sci" channels = ["conda-forge"] platforms = ["linux-64", "osx-arm64", "osx-64"] @@ -10,7 +10,7 @@ cffi = "*" ipykernel = ">=6.0" ipython = ">=8.0" ipywidgets = "*" -jupyter-book = "*" +mystmd = "*" jupyterlab = ">=3" line_profiler = "*" matplotlib = ">=3.5" @@ -25,10 +25,10 @@ pytest = ">7" rich = ">=11" scikit-build-core = ">=0.8" scipy = "*" -sphinxcontrib-mermaid = "*" ninja = ">=1.10" [tasks] lab = "jupyter lab" -book = "export PYDEVD_DISABLE_FILE_VALIDATION=1 && python -m ipykernel install --user --name conda-env-se-for-sci-py && jupyter-book build ." -pdf = "export PYDEVD_DISABLE_FILE_VALIDATION=1 && python -m ipykernel install --user --name conda-env-se-for-sci-py && jupyter-book build --builder pdflatex ." +book = "python -m ipykernel install --user --name conda-env-se-for-sci-py && myst build --execute --html" +serve = "python -m ipykernel install --user --name conda-env-se-for-sci-py && myst start --execute" +pdf = "python -m ipykernel install --user --name conda-env-se-for-sci-py && myst build --execute --pdf" From 8a82d9467671432cf09484c9229721ac0731c146 Mon Sep 17 00:00:00 2001 From: Henry Schreiner Date: Thu, 28 May 2026 17:29:24 -0400 Subject: [PATCH 2/2] Update cd.yml --- .github/workflows/cd.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/cd.yml b/.github/workflows/cd.yml index 8e10a4d..396416c 100644 --- a/.github/workflows/cd.yml +++ b/.github/workflows/cd.yml @@ -23,7 +23,7 @@ jobs: - uses: prefix-dev/setup-pixi@v0.9.6 with: - pixi-version: v0.28.2 + pixi-version: v0.69.0 - name: Build the book run: pixi run book