diff --git a/.github/workflows/build_docs.yml b/.github/workflows/build_docs.yml index d27a4653..2d36812a 100644 --- a/.github/workflows/build_docs.yml +++ b/.github/workflows/build_docs.yml @@ -19,33 +19,15 @@ jobs: - name: Checkout uses: actions/checkout@v4 - - name: Set up Python - uses: actions/setup-python@v5 + - name: Setup Pixi + uses: prefix-dev/setup-pixi@v0.9.4 with: - python-version: '3.10' - cache: 'pip' - - - name: Set up micromamba - uses: mamba-org/setup-micromamba@v1 - with: - environment-name: test-env - create-args: >- - python=${{ matrix.python-version }} - channels: conda-forge - channel-priority: strict - cache-downloads: true - cache-env: true - - - name: Install dependencies - run: | - micromamba install --yes -n test-env -c conda-forge paraview - python -m pip install --upgrade pip - pip install -e . - pip install .[docs] + pixi-version: v0.62.2 + cache: true + cache-write: ${{ github.event_name == 'push' && github.ref == 'refs/heads/main' }} - name: Build documentation run: | - cd docs - make html + pixi run docs diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index e7fa0a11..0f5457e2 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -26,7 +26,7 @@ jobs: strategy: fail-fast: false matrix: - python-version: ['3.10'] + python-version: ['3.14'] os: ['ubuntu-latest'] defaults: run: @@ -51,13 +51,16 @@ jobs: - name: Formatting and sorting import run: nox -s linter + - name: Spellcheck + run: nox -s spell + Unit-Test-BiRD: name: Unit-Test-BiRD (${{ matrix.python-version }}, ${{ matrix.os }}) runs-on: ${{ matrix.os }} strategy: fail-fast: false matrix: - python-version: ['3.10', '3.14'] + python-version: ['3.11', '3.14'] os: ['ubuntu-latest', 'macos-latest'] defaults: run: @@ -91,6 +94,31 @@ jobs: - name: Test run: nox -s tests -- no-reports + Unit-Test-pixi-BiRD: + name: Unit-Test-pixi-BiRD (${{ matrix.os }}) + runs-on: ${{ matrix.os }} + strategy: + fail-fast: false + matrix: + os: ['ubuntu-latest', 'macos-latest'] + defaults: + run: + shell: bash -l {0} + working-directory: ${{github.workspace}} + + steps: + - uses: actions/checkout@v4 + + - name: Setup Pixi + uses: prefix-dev/setup-pixi@v0.9.4 + with: + pixi-version: v0.62.2 + cache: true + cache-write: ${{ github.event_name == 'push' && github.ref == 'refs/heads/main' }} + + - name: Formatting and sorting import + run: | + pixi run test Unit-Test-pypi-Bird: name: Unit-Test-pypi-BiRD (${{ matrix.python-version }}, ${{ matrix.os }}) @@ -98,7 +126,7 @@ jobs: strategy: fail-fast: false matrix: - python-version: ['3.10'] + python-version: ['3.14'] os: ['ubuntu-latest'] defaults: run: @@ -137,7 +165,7 @@ jobs: strategy: fail-fast: false matrix: - python-version: ['3.10'] + python-version: ['3.14'] os: ['ubuntu-22.04'] defaults: run: diff --git a/.github/workflows/codecov.yml b/.github/workflows/codecov.yml index 9637bb73..98456cbe 100644 --- a/.github/workflows/codecov.yml +++ b/.github/workflows/codecov.yml @@ -21,33 +21,16 @@ jobs: - name: Checkout uses: actions/checkout@v4 - - name: Set up Python - uses: actions/setup-python@v5 + - name: Setup Pixi + uses: prefix-dev/setup-pixi@v0.9.4 with: - python-version: '3.14' - cache: 'pip' + pixi-version: v0.62.2 + cache: true + cache-write: ${{ github.event_name == 'push' && github.ref == 'refs/heads/main' }} - - name: Set up micromamba - uses: mamba-org/setup-micromamba@v1 - with: - environment-name: test-env - create-args: >- - python=${{ matrix.python-version }} - channels: conda-forge - channel-priority: strict - cache-downloads: true - cache-env: true - - - name: Install dependencies - run: | - micromamba install --yes -n test-env -c conda-forge paraview - pip install --upgrade pip - pip install --upgrade nox - pip install -e .[tests] - - - name: Generate coverage report + - name: Build documentation run: | - pytest --cov=./ --cov-report=xml:coverage.xml + pixi run test-cov - name: Upload coverage to Codecov diff --git a/.github/workflows/deploy_docs.yml b/.github/workflows/deploy_docs.yml index 7c60ad74..6c1a1bab 100644 --- a/.github/workflows/deploy_docs.yml +++ b/.github/workflows/deploy_docs.yml @@ -21,33 +21,16 @@ jobs: - name: Checkout uses: actions/checkout@v4 - - name: Set up Python - uses: actions/setup-python@v5 + - name: Setup Pixi + uses: prefix-dev/setup-pixi@v0.9.4 with: - python-version: '3.10' - cache: 'pip' - - - name: Set up micromamba - uses: mamba-org/setup-micromamba@v1 - with: - environment-name: test-env - create-args: >- - python=${{ matrix.python-version }} - channels: conda-forge - channel-priority: strict - cache-downloads: true - cache-env: true - - - name: Install dependencies - run: | - micromamba install --yes -n test-env -c conda-forge paraview - pip install --upgrade pip - pip install -e .[docs] + pixi-version: v0.62.2 + cache: true + cache-write: ${{ github.event_name == 'push' && github.ref == 'refs/heads/main' }} - name: Build documentation run: | - cd docs - make html + pixi run docs - name: Deploy uses: peaceiris/actions-gh-pages@v4 diff --git a/.gitignore b/.gitignore index 75376bcf..8cefb5b6 100644 --- a/.gitignore +++ b/.gitignore @@ -137,3 +137,6 @@ dmypy.json *.swp .vim +# pixi environments +.pixi/* +!.pixi/config.toml diff --git a/README.md b/README.md index 2b38cfb2..452dca13 100644 --- a/README.md +++ b/README.md @@ -13,7 +13,7 @@ bash run.sh ## Installation of python package for developers ```bash -conda create -c conda-forge --name bird python=3.10 paraview +conda create -c conda-forge --name bird python=3.14 paraview conda activate bird git clone https://github.com/NatLabRockies/BioReactorDesign.git cd BioReactorDesign @@ -23,7 +23,7 @@ pip install -e . ## Installation of python package for users ```bash -conda create -c conda-forge --name bird python=3.10 paraview +conda create -c conda-forge --name bird python=3.14 paraview conda activate bird pip install nlr-bird=={version} ``` diff --git a/docs/source/quickstart.rst b/docs/source/quickstart.rst index eb318ec8..9316a180 100644 --- a/docs/source/quickstart.rst +++ b/docs/source/quickstart.rst @@ -10,7 +10,7 @@ Installation of python package for developers .. code-block:: console - conda create -c conda-forge --name bird python=3.10 paraview + conda create -c conda-forge --name bird python=3.14 paraview conda activate bird git clone https://github.com/NREL/BioReactorDesign.git cd BioReactorDesign @@ -24,7 +24,7 @@ Installation of python package for users .. code-block:: console - conda create -c conda-forge --name bird python=3.10 paraview + conda create -c conda-forge --name bird python=3.14 paraview conda activate bird pip install nlr-bird diff --git a/noxfile.py b/noxfile.py index 9cb2bafc..4abb248e 100644 --- a/noxfile.py +++ b/noxfile.py @@ -60,7 +60,9 @@ def run_lint(session: nox.Session) -> None: "--line-length", "79", "--target-version", - "py310", + "py314", + "--exclude", + ".pixi", ".", ] isort_command = [ @@ -75,6 +77,8 @@ def run_lint(session: nox.Session) -> None: "--line-length", "79", "--use-parentheses", + "--skip", + ".pixi", ".", ] @@ -167,6 +171,18 @@ def run_pytest(session: nox.Session) -> None: run_cleanup(session) +@nox.session(name="docs", python=False) +def run_sphinx(session: nox.Session) -> None: + """ + Run spellcheck and then use sphinx to build docs + """ + + run_codespell(session) + os.chdir("docs") + session.run("make", "html") + os.chdir(" .. ".strip()) + + def run_pre_commit(session: nox.Session) -> None: """ Run all linters/tests and make new badges diff --git a/pixi.lock b/pixi.lock new file mode 100644 index 00000000..6f963850 --- /dev/null +++ b/pixi.lock @@ -0,0 +1,10162 @@ +version: 6 +environments: + calibration: + channels: + - url: https://conda.anaconda.org/conda-forge/ + indexes: + - https://pypi.org/simple + options: + pypi-prerelease-mode: if-necessary-or-explicit + packages: + linux-64: + - conda: https://conda.anaconda.org/conda-forge/linux-64/_openmp_mutex-4.5-20_gnu.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/aiohappyeyeballs-2.6.1-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/linux-64/aiohttp-3.13.3-py312h5d8c7f2_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/aiosignal-1.4.0-pyhd8ed1ab_0.conda + - conda: https://conda.anaconda.org/conda-forge/linux-64/alsa-lib-1.2.15.3-hb03c661_0.conda + - conda: https://conda.anaconda.org/conda-forge/noarch/anyio-4.12.1-pyhcf101f3_0.conda + - 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Beta", "Intended Audience :: Science/Research", - "Programming Language :: Python :: 3.10", "Programming Language :: Python :: 3.11", "Programming Language :: Python :: 3.12", "Programming Language :: Python :: 3.13", @@ -29,13 +28,13 @@ classifiers = [ ] dependencies = [ "numpy", - "prettyPlot", + "prettyPlot>=0.0.36,<0.0.37", "ruamel_yaml", "numpy-stl>=3.2.0", "scipy", "corner", - "jax", - "numpyro>=0.16.1", + "jax>=0.9.0,<0.10", + "numpyro>=0.20.0,<0.21", ] [tool.setuptools.dynamic] @@ -52,6 +51,9 @@ docs = [ "sphinx", "sphinx_rtd_theme", "sphinx-autodoc-typehints", + "arviz-base", + "arviz-stats", + "arviz-plots", ] tests = [ "pytest", @@ -81,3 +83,76 @@ Homepage = "https://github.com/NatLabRockies/BioReactorDesign" Documentation = "https://natlabrockies.github.io/BioReactorDesign" Repository = "https://github.com/NatLabRockies/BioReactorDesign" Issues = "https://github.com/NatLabRockies/BioReactorDesign/issues" + +[tool.pixi.workspace] +channels = ["conda-forge"] +platforms = ["osx-arm64", "linux-64"] + +[tool.pixi.pypi-dependencies] +nlr-bird = { path = ".", editable = true } + +[tool.pixi.environments] +default = { solve-group = "default" } +calibration = { features = ["calibration"], solve-group = "default" } +dev = { features = ["dev"], solve-group = "default" } +docs = { features = ["docs"], solve-group = "default" } +optim = { features = ["optim"], solve-group = "default" } +tests = { features = ["tests"], solve-group = "default" } + +[tool.coverage.run] +omit = [ + ".pixi/*", + "tests/*", +] + +[tool.pixi.tasks] +test-cov = "pytest --cov=./ --cov-report=xml:coverage.xml" +test = "nox -s test -- no-reports" +cleanup = "nox -s cleanup" + +[tool.pixi.feature.docs.tasks] +docs = "nox -s docs" + +[tool.pixi.feature.dev.tasks] +lint-write = "nox -s lint -- write" +lint = "nox -s lint" +spell = "nox -s spell" +spell-write = "nox -s spell -- write" +deploy = "nox -s deploy" + + +[tool.pixi.dependencies] +python = ">=3.12" +paraview = "*" +nox = "*" +numpy = ">=2.4.2,<3" +ruamel_yaml = ">=0.15.80,<0.16" +scipy = ">=1.17.1,<2" +corner = ">=2.2.3,<3" +numpy-stl = ">=3.2.0,<4" +pytest = ">=9.0.2,<10" +pytest-cov = ">=7.0.0,<8" + +[tool.pixi.feature.docs.dependencies] +sphinx = ">=8.2.3,<9" +sphinx_rtd_theme = ">=3.1.0,<4" +sphinx-autodoc-typehints = ">=3.5.2,<4" + +[tool.pixi.feature.tests.dependencies] +pytest = ">=9.0.2,<10" +pytest-cov = ">=7.0.0,<8" + +[tool.pixi.feature.dev.dependencies] +nox = ">=2026.2.9,<2027" +black = ">=26.1.0,<27" +isort = ">=8.0.0,<9" +codespell = ">=2.4.1,<3" +twine = "*" + +[tool.pixi.feature.calibration.dependencies] +joblib = ">=1.5.3,<2" +scikit-learn = ">=1.8.0,<2" + +[tool.pixi.feature.optim.dependencies] +optuna = ">=4.7.0,<5" +pandas = ">=3.0.1,<4"