From d108dcb0ec787db20ca727520c713ea59e238f17 Mon Sep 17 00:00:00 2001 From: Logan Drescher Date: Thu, 7 May 2026 16:34:10 -0400 Subject: [PATCH 1/5] Fixed test not including privacy field --- pyvcell/_internal/api/vcell_client/models/biomodel_ref.py | 4 +++- tests/_internal/api/vcell_client/test_publication_api.py | 1 + 2 files changed, 4 insertions(+), 1 deletion(-) diff --git a/pyvcell/_internal/api/vcell_client/models/biomodel_ref.py b/pyvcell/_internal/api/vcell_client/models/biomodel_ref.py index 1022840..56ef7f4 100644 --- a/pyvcell/_internal/api/vcell_client/models/biomodel_ref.py +++ b/pyvcell/_internal/api/vcell_client/models/biomodel_ref.py @@ -33,7 +33,8 @@ class BiomodelRef(BaseModel): owner_name: Optional[StrictStr] = Field(default=None, alias="ownerName") owner_key: Optional[StrictInt] = Field(default=None, alias="ownerKey") version_flag: Optional[StrictInt] = Field(default=None, alias="versionFlag") - __properties: ClassVar[List[str]] = ["bmKey", "name", "ownerName", "ownerKey", "versionFlag"] + privacy: Optional[StrictInt] = Field(default=None, alias="privacy") + __properties: ClassVar[List[str]] = ["bmKey", "name", "ownerName", "ownerKey", "versionFlag", "privacy"] model_config = ConfigDict( populate_by_name=True, @@ -94,5 +95,6 @@ def from_dict(cls, obj: Optional[Dict[str, Any]]) -> Optional[Self]: "ownerName": obj.get("ownerName"), "ownerKey": obj.get("ownerKey"), "versionFlag": obj.get("versionFlag"), + "privacy": obj.get("privacy"), }) return _obj diff --git a/tests/_internal/api/vcell_client/test_publication_api.py b/tests/_internal/api/vcell_client/test_publication_api.py index 13ee240..3f7bd43 100644 --- a/tests/_internal/api/vcell_client/test_publication_api.py +++ b/tests/_internal/api/vcell_client/test_publication_api.py @@ -45,6 +45,7 @@ def test_get_publications() -> None: owner_name="Dolgitzer", owner_key=259537152, version_flag=3, + privacy=0 ) ], mathmodel_refs=[], From 396c7556814f10ec467d40412477bc1ef735d7bd Mon Sep 17 00:00:00 2001 From: Logan Drescher Date: Thu, 7 May 2026 16:34:42 -0400 Subject: [PATCH 2/5] switched from poetry to uv --- .github/actions/setup-poetry-env/action.yml | 43 - .github/actions/setup-uv-env/action.yml | 33 + .github/workflows/main.yml | 15 +- .github/workflows/on-release-main.yml | 8 +- Makefile | 34 +- .../guides/images/building-concentrations.png | Bin 39209 -> 39209 bytes docs/guides/images/building-geometry.png | Bin 170643 -> 171268 bytes docs/guides/images/building-slice3d-A.png | Bin 155890 -> 155890 bytes .../images/complex-analytic-geometry.png | Bin 170643 -> 171268 bytes docs/guides/images/complex-concentrations.png | Bin 39097 -> 39097 bytes docs/guides/images/complex-geometry.png | Bin 182550 -> 180502 bytes docs/guides/images/complex-slice3d-A.png | Bin 128368 -> 128368 bytes docs/guides/images/viz-concentrations.png | Bin 56355 -> 56355 bytes docs/guides/images/viz-slice2d.png | Bin 16559 -> 16559 bytes docs/guides/images/viz-slice3d.png | Bin 114758 -> 114758 bytes poetry.lock | 3556 +++++++------ poetry.toml | 2 - pyproject.toml | 122 +- .../geometry/segmented_image_geometry.py | 6 +- pyvcell/sim_results/widget.py | 6 +- .../api/vcell_client/test_publication_api.py | 2 +- .../geometry/test_segmented_image_geometry.py | 6 +- uv.lock | 4533 +++++++++++++++++ 23 files changed, 6631 insertions(+), 1735 deletions(-) delete mode 100644 .github/actions/setup-poetry-env/action.yml create mode 100644 .github/actions/setup-uv-env/action.yml delete mode 100644 poetry.toml create mode 100644 uv.lock diff --git a/.github/actions/setup-poetry-env/action.yml b/.github/actions/setup-poetry-env/action.yml deleted file mode 100644 index d1aafa7..0000000 --- a/.github/actions/setup-poetry-env/action.yml +++ /dev/null @@ -1,43 +0,0 @@ -name: "setup-poetry-env" -description: "Composite action to setup the Python and poetry environment." - -inputs: - python-version: - required: false - description: "The python version to use" - default: "3.11" - -runs: - using: "composite" - steps: - - name: Set up python - uses: actions/setup-python@v5 - with: - python-version: ${{ inputs.python-version }} - - - name: Install Poetry - env: - POETRY_VERSION: "1.8.5" - run: curl -sSL https://install.python-poetry.org | python - -y - shell: bash - - - name: Add Poetry to Path - run: echo "$HOME/.local/bin" >> $GITHUB_PATH - shell: bash - - - name: Configure Poetry virtual environment in project - run: poetry config virtualenvs.in-project true - shell: bash - - - name: Load cached venv - id: cached-poetry-dependencies - uses: actions/cache@v4 - if: github.run_attempt == 1 - with: - path: .venv - key: venv-${{ runner.os }}-${{ inputs.python-version }}-${{ hashFiles('poetry.lock') }} - - - name: Install dependencies - if: github.run_attempt > 1 || steps.cached-poetry-dependencies.outputs.cache-hit != 'true' - run: poetry install --no-interaction - shell: bash diff --git a/.github/actions/setup-uv-env/action.yml b/.github/actions/setup-uv-env/action.yml new file mode 100644 index 0000000..e8c5470 --- /dev/null +++ b/.github/actions/setup-uv-env/action.yml @@ -0,0 +1,33 @@ +name: "setup-uv-env" +description: "Composite action to setup the Python and uv environment." + +inputs: + python-version: + required: false + description: "The python version to use" + default: "3.11" + +runs: + using: "composite" + steps: + - name: Set up python + uses: actions/setup-python@v6 + with: + python-version: ${{ inputs.python-version }} + + - name: Install UV + run: curl -LsSf https://astral.sh/uv/install.sh | sh + shell: bash + + - name: Load cached venv + id: cached-uv-dependencies + uses: actions/cache@v4 + if: github.run_attempt == 1 + with: + path: .venv + key: venv-${{ runner.os }}-${{ inputs.python-version }}-${{ hashFiles('uv.lock') }} + + - name: Install dependencies + if: github.run_attempt > 1 || steps.cached-uv-dependencies.outputs.cache-hit != 'true' + run: uv sync --all-groups + shell: bash diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml index 08ed261..38f9414 100644 --- a/.github/workflows/main.yml +++ b/.github/workflows/main.yml @@ -20,7 +20,7 @@ jobs: key: pre-commit-${{ hashFiles('.pre-commit-config.yaml') }} - name: Set up the environment - uses: ./.github/actions/setup-poetry-env + uses: ./.github/actions/setup-uv-env - name: Run checks run: make check @@ -39,18 +39,21 @@ jobs: uses: actions/checkout@v4 - name: Set up the environment - uses: ./.github/actions/setup-poetry-env + uses: ./.github/actions/setup-uv-env with: python-version: ${{ matrix.python-version }} - name: Install xvfb run: sudo apt-get update && sudo apt-get install -y xvfb + - name: Sync uv project + run: uv sync --all-groups + - name: Run tests - run: xvfb-run poetry run pytest tests --cov --cov-config=pyproject.toml --cov-report=xml + run: xvfb-run uv run pytest tests --cov --cov-config=pyproject.toml --cov-report=xml - name: Check typing - run: poetry run mypy + run: uv run mypy - name: Upload coverage reports to Codecov with GitHub Action on Python 3.11 uses: codecov/codecov-action@v4 @@ -63,7 +66,7 @@ jobs: uses: actions/checkout@v4 - name: Set up the environment - uses: ./.github/actions/setup-poetry-env + uses: ./.github/actions/setup-uv-env - name: Check if documentation can be built - run: poetry run mkdocs build -s + run: uv run mkdocs build -s diff --git a/.github/workflows/on-release-main.yml b/.github/workflows/on-release-main.yml index 6a13b1c..cbfc408 100644 --- a/.github/workflows/on-release-main.yml +++ b/.github/workflows/on-release-main.yml @@ -13,7 +13,7 @@ jobs: uses: actions/checkout@v4 - name: Set up the environment - uses: ./.github/actions/setup-poetry-env + uses: ./.github/actions/setup-uv-env - name: Export tag id: vars @@ -22,7 +22,7 @@ jobs: - name: Build and publish run: | source .venv/bin/activate - poetry version $RELEASE_VERSION + uv version $RELEASE_VERSION make build-and-publish env: PYPI_TOKEN: ${{ secrets.PYPI_TOKEN }} @@ -36,7 +36,7 @@ jobs: uses: actions/checkout@v4 - name: Set up the environment - uses: ./.github/actions/setup-poetry-env + uses: ./.github/actions/setup-uv-env - name: Deploy documentation - run: poetry run mkdocs gh-deploy --force + run: uv run mkdocs gh-deploy --force diff --git a/Makefile b/Makefile index 746e810..bc9e3ec 100644 --- a/Makefile +++ b/Makefile @@ -1,30 +1,29 @@ .PHONY: install -install: ## Install the poetry environment and install the pre-commit hooks - @echo "🚀 Creating virtual environment using pyenv and poetry" - @poetry install - @ poetry run pre-commit install - @poetry shell +install: ## Install the uv environment and install the pre-commit hooks + @echo "🚀 Creating virtual environment using uv" + @uv sync + @uv run pre-commit install .PHONY: check check: ## Run code quality tools. @echo "🚀 Checking Poetry lock file consistency with 'pyproject.toml': Running poetry check --lock" - @poetry check --lock + @uv lock --check @echo "🚀 Linting code: Running pre-commit" - @poetry run pre-commit run -a + @uv run pre-commit run -a @echo "🚀 Static type checking: Running mypy" - @poetry run mypy + @uv run mypy @echo "🚀 Checking for obsolete dependencies: Running deptry" - @poetry run deptry --exclude=.venv --exclude=.venv_jupyter --exclude=examples --exclude=tests . + @uv run deptry --exclude=.venv --exclude=.venv_jupyter --exclude=examples --exclude=tests . .PHONY: test test: ## Test the code with pytest @echo "🚀 Testing code: Running pytest" - @poetry run pytest --cov --cov-config=pyproject.toml --cov-report=xml + @uv run pytest --cov --cov-config=pyproject.toml --cov-report=xml .PHONY: build -build: clean-build ## Build wheel file using poetry +build: clean-build ## Build wheel file using uv @echo "🚀 Creating wheel file" - @poetry build + @uv build .PHONY: clean-build clean-build: ## clean build artifacts @@ -33,10 +32,9 @@ clean-build: ## clean build artifacts .PHONY: publish publish: ## publish a release to pypi. @echo "🚀 Publishing: Dry run." - @poetry config pypi-token.pypi $(PYPI_TOKEN) - @poetry publish --dry-run + @uv publish --dry-run --token $(PYPI_TOKEN) @echo "🚀 Publishing." - @poetry publish + @uv publish --token $(PYPI_TOKEN) .PHONY: build-and-publish build-and-publish: build publish ## Build and publish. @@ -44,15 +42,15 @@ build-and-publish: build publish ## Build and publish. .PHONY: docs-execute-notebooks docs-execute-notebooks: ## Execute guide notebooks and save outputs @echo "🚀 Executing guide notebooks" - @poetry run jupyter nbconvert --to notebook --execute --inplace $(filter-out docs/guides/notebooks/remote-simulations.ipynb,$(wildcard docs/guides/notebooks/*.ipynb)) + @uv run jupyter nbconvert --to notebook --execute --inplace $(filter-out docs/guides/notebooks/remote-simulations.ipynb,$(wildcard docs/guides/notebooks/*.ipynb)) .PHONY: docs-test docs-test: ## Test if documentation can be built without warnings or errors - @poetry run mkdocs build -s + @uv run mkdocs build -s .PHONY: docs docs: ## Build and serve the 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Extract the structure, the frame, the skeleton of your project, to generate API documentation or find breaking changes in your API." -optional = false +optional = true python-versions = ">=3.10" -groups = ["docs"] +groups = ["main"] +markers = "(sys_platform == \"win32\" or sys_platform == \"emscripten\" or sys_platform != \"win32\" and sys_platform != \"emscripten\") and extra == \"docs\"" files = [ {file = "griffe-1.15.0-py3-none-any.whl", hash = "sha256:6f6762661949411031f5fcda9593f586e6ce8340f0ba88921a0f2ef7a81eb9a3"}, {file = "griffe-1.15.0.tar.gz", hash = "sha256:7726e3afd6f298fbc3696e67958803e7ac843c1cfe59734b6251a40cdbfb5eea"}, @@ -1553,13 +1657,30 @@ colorama = ">=0.4" [package.extras] pypi = ["pip (>=24.0)", "platformdirs (>=4.2)", "wheel (>=0.42)"] +[[package]] +name = "griffelib" +version = "2.0.2" +description = "Signatures for entire Python programs. Extract the structure, the frame, the skeleton of your project, to generate API documentation or find breaking changes in your API." +optional = true +python-versions = ">=3.10" +groups = ["main"] +markers = "(sys_platform == \"win32\" or sys_platform == \"emscripten\" or sys_platform != \"win32\" and sys_platform != \"emscripten\") and extra == \"docs\"" +files = [ + {file = "griffelib-2.0.2-py3-none-any.whl", hash = "sha256:925c857658fb1ba40c0772c37acbc2ab650bd794d9c1b9726922e36ea4117ea1"}, + {file = "griffelib-2.0.2.tar.gz", hash = "sha256:3cf20b3bc470e83763ffbf236e0076b1211bac1bc67de13daf494640f2de707e"}, +] + +[package.extras] +pypi = ["pip (>=24.0)", "platformdirs (>=4.2)", "wheel (>=0.42)"] + [[package]] name = "h11" version = "0.16.0" description = "A pure-Python, bring-your-own-I/O implementation of HTTP/1.1" -optional = false +optional = true python-versions = ">=3.8" -groups = ["dev"] +groups = ["main"] +markers = "(sys_platform == \"win32\" or sys_platform == \"emscripten\" or sys_platform != \"win32\" and sys_platform != \"emscripten\") and extra == \"dev\"" files = [ {file = "h11-0.16.0-py3-none-any.whl", hash = "sha256:63cf8bbe7522de3bf65932fda1d9c2772064ffb3dae62d55932da54b31cb6c86"}, {file = "h11-0.16.0.tar.gz", hash = "sha256:4e35b956cf45792e4caa5885e69fba00bdbc6ffafbfa020300e549b208ee5ff1"}, @@ -1572,6 +1693,7 @@ description = "Read and write HDF5 files from Python" optional = false python-versions = ">=3.10" groups = ["main"] +markers = "sys_platform == \"win32\" or sys_platform == \"emscripten\" or sys_platform != \"win32\" and sys_platform != \"emscripten\"" files = [ {file = "h5py-3.16.0-cp310-cp310-macosx_10_9_x86_64.whl", hash = "sha256:e06f864bedb2c8e7c1358e6c73af48519e317457c444d6f3d332bb4e8fa6d7d9"}, {file = "h5py-3.16.0-cp310-cp310-macosx_11_0_arm64.whl", hash = "sha256:ec86d4fffd87a0f4cb3d5796ceb5a50123a2a6d99b43e616e5504e66a953eca3"}, @@ -1630,9 +1752,10 @@ numpy = ">=1.21.2" name = "httpcore" version = "1.0.9" description = "A minimal low-level HTTP client." -optional = false +optional = true python-versions = ">=3.8" -groups = ["dev"] +groups = ["main"] +markers = "(sys_platform == \"win32\" or sys_platform == \"emscripten\" or sys_platform != \"win32\" and sys_platform != \"emscripten\") and extra == \"dev\"" files = [ {file = "httpcore-1.0.9-py3-none-any.whl", hash = "sha256:2d400746a40668fc9dec9810239072b40b4484b640a8c38fd654a024c7a1bf55"}, {file = "httpcore-1.0.9.tar.gz", hash = "sha256:6e34463af53fd2ab5d807f399a9b45ea31c3dfa2276f15a2c3f00afff6e176e8"}, @@ -1652,9 +1775,10 @@ trio = ["trio (>=0.22.0,<1.0)"] name = "httpx" version = "0.28.1" description = "The next generation HTTP client." -optional = false +optional = true python-versions = ">=3.8" -groups = ["dev"] +groups = ["main"] +markers = "(sys_platform == \"win32\" or sys_platform == \"emscripten\" or sys_platform != \"win32\" and sys_platform != \"emscripten\") and extra == \"dev\"" files = [ {file = "httpx-0.28.1-py3-none-any.whl", hash = "sha256:d909fcccc110f8c7faf814ca82a9a4d816bc5a6dbfea25d6591d6985b8ba59ad"}, {file = "httpx-0.28.1.tar.gz", hash = "sha256:75e98c5f16b0f35b567856f597f06ff2270a374470a5c2392242528e3e3e42fc"}, @@ -1675,14 +1799,15 @@ zstd = ["zstandard (>=0.18.0)"] [[package]] name = "identify" -version = "2.6.18" +version = "2.6.19" description = "File identification library for Python" -optional = false +optional = true python-versions = ">=3.10" -groups = ["dev"] +groups = ["main"] +markers = "(sys_platform == \"win32\" or sys_platform == \"emscripten\" or sys_platform != \"win32\" and sys_platform != \"emscripten\") and extra == \"dev\"" files = [ - 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{file = "idna-3.11.tar.gz", hash = "sha256:795dafcc9c04ed0c1fb032c2aa73654d8e8c5023a7df64a53f39190ada629902"}, + {file = "idna-3.13-py3-none-any.whl", hash = "sha256:892ea0cde124a99ce773decba204c5552b69c3c67ffd5f232eb7696135bc8bb3"}, + {file = "idna-3.13.tar.gz", hash = "sha256:585ea8fe5d69b9181ec1afba340451fba6ba764af97026f92a91d4eef164a242"}, ] [package.extras] -all = ["flake8 (>=7.1.1)", "mypy (>=1.11.2)", "pytest (>=8.3.2)", "ruff (>=0.6.2)"] +all = ["mypy (>=1.11.2)", "pytest (>=8.3.2)", "ruff (>=0.6.2)"] [[package]] name = "imageio" @@ -1710,6 +1836,7 @@ description = "Read and write images and video across all major formats. Support optional = false python-versions = ">=3.10" groups = ["main"] +markers = "sys_platform == \"win32\" or sys_platform == \"emscripten\" or sys_platform != \"win32\" and sys_platform != \"emscripten\"" files = [ {file = "imageio-2.37.3-py3-none-any.whl", hash = "sha256:46f5bb8522cd421c0f5ae104d8268f569d856b29eb1a13b92829d1970f32c9f0"}, {file = "imageio-2.37.3.tar.gz", hash = "sha256:bbb37efbfc4c400fcd534b367b91fcd66d5da639aaa138034431a1c5e0a41451"}, @@ -1741,9 +1868,10 @@ tifffile = ["tifffile"] name = "iniconfig" version = "2.3.0" description = "brain-dead simple config-ini parsing" -optional = false +optional = true python-versions = ">=3.10" -groups = ["dev"] +groups = ["main"] +markers = "(sys_platform == \"win32\" or sys_platform == \"emscripten\" or sys_platform != \"win32\" and sys_platform != \"emscripten\") and extra == \"dev\"" files = [ {file = "iniconfig-2.3.0-py3-none-any.whl", hash = "sha256:f631c04d2c48c52b84d0d0549c99ff3859c98df65b3101406327ecc7d53fbf12"}, {file = "iniconfig-2.3.0.tar.gz", hash = "sha256:c76315c77db068650d49c5b56314774a7804df16fee4402c1f19d6d15d8c4730"}, @@ -1751,14 +1879,15 @@ files = [ [[package]] name = "ipykernel" -version = "6.31.0" +version = "7.2.0" description = "IPython Kernel for Jupyter" -optional = false -python-versions = ">=3.9" -groups = ["dev", "docs"] +optional = true +python-versions = ">=3.10" +groups = ["main"] +markers = "(sys_platform == \"win32\" or sys_platform == \"emscripten\" or sys_platform != \"win32\" and sys_platform != \"emscripten\") and (extra == \"dev\" or extra == \"docs\")" files = [ - {file = "ipykernel-6.31.0-py3-none-any.whl", hash = "sha256:abe5386f6ced727a70e0eb0cf1da801fa7c5fa6ff82147747d5a0406cd8c94af"}, - {file = "ipykernel-6.31.0.tar.gz", hash = "sha256:2372ce8bc1ff4f34e58cafed3a0feb2194b91fc7cad0fc72e79e47b45ee9e8f6"}, + {file = "ipykernel-7.2.0-py3-none-any.whl", hash = "sha256:3bbd4420d2b3cc105cbdf3756bfc04500b1e52f090a90716851f3916c62e1661"}, + {file = "ipykernel-7.2.0.tar.gz", hash = "sha256:18ed160b6dee2cbb16e5f3575858bc19d8f1fe6046a9a680c708494ce31d909e"}, ] [package.dependencies] @@ -1766,68 +1895,34 @@ appnope = {version = ">=0.1.2", markers = "platform_system == \"Darwin\""} comm = ">=0.1.1" debugpy = ">=1.6.5" ipython = ">=7.23.1" -jupyter-client = ">=8.0.0" -jupyter-core = ">=4.12,<5.0.dev0 || >=5.1.dev0" +jupyter-client = ">=8.8.0" +jupyter-core = ">=5.1,<6.0.dev0 || >=6.1.dev0" matplotlib-inline = ">=0.1" nest-asyncio = ">=1.4" packaging = ">=22" psutil = ">=5.7" pyzmq = ">=25" -tornado = ">=6.2" +tornado = ">=6.4.1" traitlets = ">=5.4.0" [package.extras] cov = ["coverage[toml]", "matplotlib", "pytest-cov", "trio"] -docs = ["intersphinx-registry", "myst-parser", "pydata-sphinx-theme", "sphinx", "sphinx-autodoc-typehints", "sphinxcontrib-github-alt", "sphinxcontrib-spelling", "trio"] +docs = ["intersphinx-registry", "myst-parser", "pydata-sphinx-theme", "sphinx (<8.2.0)", "sphinx-autodoc-typehints", "sphinxcontrib-github-alt", "sphinxcontrib-spelling", "trio"] pyqt5 = ["pyqt5"] pyside6 = ["pyside6"] -test = ["flaky", "ipyparallel", "pre-commit", "pytest (>=7.0,<9)", "pytest-asyncio (>=0.23.5)", "pytest-cov", "pytest-timeout"] +test = ["flaky", "ipyparallel", "pre-commit", "pytest (>=7.0,<10)", "pytest-asyncio (>=0.23.5)", "pytest-cov", "pytest-timeout"] [[package]] name = "ipython" -version = "9.10.0" +version = "9.13.0" description = "IPython: Productive Interactive Computing" -optional = false +optional = true python-versions = ">=3.11" -groups = ["dev", "docs"] -markers = "python_version == \"3.11\"" -files = [ - 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{file = "jsonpointer-3.0.0.tar.gz", hash = "sha256:2b2d729f2091522d61c3b31f82e11870f60b68f43fbc705cb76bf4b832af59ef"}, + {file = "jsonpointer-3.1.1-py3-none-any.whl", hash = "sha256:8ff8b95779d071ba472cf5bc913028df06031797532f08a7d5b602d8b2a488ca"}, + {file = "jsonpointer-3.1.1.tar.gz", hash = "sha256:0b801c7db33a904024f6004d526dcc53bbb8a4a0f4e32bfd10beadf60adf1900"}, ] [[package]] name = "jsonschema" version = "4.26.0" description = "An implementation of JSON Schema validation for Python" -optional = false +optional = true python-versions = ">=3.10" -groups = ["dev", "docs"] +groups = ["main"] +markers = "(sys_platform == \"win32\" or sys_platform == \"emscripten\" or sys_platform != \"win32\" and sys_platform != \"emscripten\") and (extra == \"dev\" or extra == \"docs\")" files = [ {file = "jsonschema-4.26.0-py3-none-any.whl", hash = "sha256:d489f15263b8d200f8387e64b4c3a75f06629559fb73deb8fdfb525f2dab50ce"}, {file = "jsonschema-4.26.0.tar.gz", hash = "sha256:0c26707e2efad8aa1bfc5b7ce170f3fccc2e4918ff85989ba9ffa9facb2be326"}, @@ -1999,9 +2102,10 @@ format-nongpl = ["fqdn", "idna", "isoduration", "jsonpointer (>1.13)", "rfc3339- name = "jsonschema-specifications" version = "2025.9.1" description = "The JSON Schema meta-schemas and vocabularies, exposed as a Registry" -optional = false +optional = true python-versions = ">=3.9" -groups = ["dev", "docs"] +groups = ["main"] +markers = "(sys_platform == \"win32\" or sys_platform == \"emscripten\" or sys_platform != \"win32\" and sys_platform != \"emscripten\") and (extra == \"dev\" or extra == \"docs\")" files = [ {file = "jsonschema_specifications-2025.9.1-py3-none-any.whl", hash = "sha256:98802fee3a11ee76ecaca44429fda8a41bff98b00a0f2838151b113f210cc6fe"}, {file = "jsonschema_specifications-2025.9.1.tar.gz", hash = "sha256:b540987f239e745613c7a9176f3edb72b832a4ac465cf02712288397832b5e8d"}, @@ -2014,9 +2118,10 @@ referencing = ">=0.31.0" name = "jupyter-client" version = "8.8.0" description = "Jupyter protocol implementation and client libraries" -optional = false +optional = true python-versions = ">=3.10" -groups = ["dev", "docs"] +groups = ["main"] +markers = "(sys_platform == \"win32\" or sys_platform == \"emscripten\" or sys_platform != \"win32\" and sys_platform != \"emscripten\") and (extra == \"dev\" or extra == \"docs\")" files = [ {file = "jupyter_client-8.8.0-py3-none-any.whl", hash = "sha256:f93a5b99c5e23a507b773d3a1136bd6e16c67883ccdbd9a829b0bbdb98cd7d7a"}, {file = "jupyter_client-8.8.0.tar.gz", hash = "sha256:d556811419a4f2d96c869af34e854e3f059b7cc2d6d01a9cd9c85c267691be3e"}, @@ -2038,9 +2143,10 @@ test = ["anyio", "coverage", "ipykernel (>=6.14)", "msgpack", "mypy ; platform_p name = "jupyter-core" version = "5.9.1" description = "Jupyter core package. A base package on which Jupyter projects rely." -optional = false +optional = true python-versions = ">=3.10" -groups = ["dev", "docs"] +groups = ["main"] +markers = "(sys_platform == \"win32\" or sys_platform == \"emscripten\" or sys_platform != \"win32\" and sys_platform != \"emscripten\") and (extra == \"dev\" or extra == \"docs\")" files = [ {file = "jupyter_core-5.9.1-py3-none-any.whl", hash = "sha256:ebf87fdc6073d142e114c72c9e29a9d7ca03fad818c5d300ce2adc1fb0743407"}, {file = "jupyter_core-5.9.1.tar.gz", hash = "sha256:4d09aaff303b9566c3ce657f580bd089ff5c91f5f89cf7d8846c3cdf465b5508"}, @@ -2056,14 +2162,15 @@ test = ["ipykernel", "pre-commit", "pytest (<9)", "pytest-cov", "pytest-timeout" [[package]] name = "jupyter-events" -version = "0.12.0" +version = "0.12.1" description = "Jupyter Event System library" -optional = false +optional = true python-versions = ">=3.9" -groups = ["dev"] +groups = ["main"] +markers = "(sys_platform == \"win32\" or sys_platform == \"emscripten\" or sys_platform != \"win32\" and sys_platform != \"emscripten\") and extra == \"dev\"" files = [ - {file = "jupyter_events-0.12.0-py3-none-any.whl", hash = "sha256:6464b2fa5ad10451c3d35fabc75eab39556ae1e2853ad0c0cc31b656731a97fb"}, - {file = "jupyter_events-0.12.0.tar.gz", hash = "sha256:fc3fce98865f6784c9cd0a56a20644fc6098f21c8c33834a8d9fe383c17e554b"}, + {file = "jupyter_events-0.12.1-py3-none-any.whl", hash = "sha256:c366585253f537a627da52fa7ca7410c5b5301fe893f511e7b077c2d93ec8bcf"}, + {file = "jupyter_events-0.12.1.tar.gz", hash = "sha256:faff25f77218335752f35f23c5fe6e4a392a7bd99a5939ccb9b8fbf594636cf3"}, ] [package.dependencies] @@ -2083,14 +2190,15 @@ test = ["click", "pre-commit", "pytest (>=7.0)", "pytest-asyncio (>=0.19.0)", "p [[package]] name = "jupyter-lsp" -version = "2.3.0" +version = "2.3.1" description = "Multi-Language Server WebSocket proxy for Jupyter Notebook/Lab server" -optional = false +optional = true python-versions = ">=3.8" -groups = ["dev"] +groups = ["main"] +markers = "(sys_platform == \"win32\" or sys_platform == \"emscripten\" or sys_platform != \"win32\" and sys_platform != \"emscripten\") and extra == \"dev\"" files = [ - {file = "jupyter_lsp-2.3.0-py3-none-any.whl", hash = "sha256:e914a3cb2addf48b1c7710914771aaf1819d46b2e5a79b0f917b5478ec93f34f"}, - {file = "jupyter_lsp-2.3.0.tar.gz", hash = "sha256:458aa59339dc868fb784d73364f17dbce8836e906cd75fd471a325cba02e0245"}, + {file = "jupyter_lsp-2.3.1-py3-none-any.whl", hash = "sha256:71b954d834e85ff3096400554f2eefaf7fe37053036f9a782b0f7c5e42dadb81"}, + {file = "jupyter_lsp-2.3.1.tar.gz", hash = "sha256:fdf8a4aa7d85813976d6e29e95e6a2c8f752701f926f2715305249a3829805a6"}, ] [package.dependencies] @@ -2098,14 +2206,15 @@ jupyter_server = ">=1.1.2" [[package]] name = "jupyter-server" -version = "2.17.0" +version = "2.18.2" description = "The backend—i.e. core services, APIs, and REST endpoints—to Jupyter web applications." -optional = false +optional = true python-versions = ">=3.9" -groups = ["dev"] +groups = ["main"] +markers = "(sys_platform == \"win32\" or sys_platform == \"emscripten\" or sys_platform != \"win32\" and sys_platform != \"emscripten\") and extra == \"dev\"" files = [ - {file = "jupyter_server-2.17.0-py3-none-any.whl", hash = "sha256:e8cb9c7db4251f51ed307e329b81b72ccf2056ff82d50524debde1ee1870e13f"}, - {file = "jupyter_server-2.17.0.tar.gz", hash = "sha256:c38ea898566964c888b4772ae1ed58eca84592e88251d2cfc4d171f81f7e99d5"}, + {file = "jupyter_server-2.18.2-py3-none-any.whl", hash = "sha256:fa5e46539ded65791838035a2b6001f13e54d5f64b8b3752eb1e91fdd641a5b8"}, + {file = "jupyter_server-2.18.2.tar.gz", hash = "sha256:06b4f40d8a7a00bb39d5216859c81374a0e7cfefe6d8a5a7facc5a5c37c679a7"}, ] [package.dependencies] @@ -2118,7 +2227,6 @@ jupyter-events = ">=0.11.0" jupyter-server-terminals = ">=0.4.4" nbconvert = ">=6.4.4" nbformat = ">=5.3.0" -overrides = {version = ">=5.0", markers = "python_version < \"3.12\""} packaging = ">=22.0" prometheus-client = ">=0.9" 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+dev = ["copasi-basico", "deptry", "ipywidgets", "lxml-stubs", "mypy", "notebook", "pre-commit", "pytest", "pytest-cov", "tox", "trame-jupyter-extension", "types-requests"] +docs = ["griffe", "mkdocs", "mkdocs-jupyter", "mkdocs-material", "mkdocstrings"] + [metadata] lock-version = "2.1" -python-versions = ">=3.11,<4.0" -content-hash = "e691fc1fdfafb6e3b99e14a8c35eac6869e2bd86c81770312ccd3bd918c259e8" +python-versions = ">=3.12,<4.0" +content-hash = "e0806e16b3400d1856a88bbbdab782958c3e971acad4935e5d37bb819da499d7" diff --git a/poetry.toml b/poetry.toml deleted file mode 100644 index ab1033b..0000000 --- a/poetry.toml +++ /dev/null @@ -1,2 +0,0 @@ -[virtualenvs] -in-project = true diff --git a/pyproject.toml b/pyproject.toml index e134cf6..39b9a2c 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -1,70 +1,80 @@ -[tool.poetry] +[project] name = "pyvcell" version = "0.2.0" +requires-python = ">=3.12,<4.0" description = "This is the python wrapper for vcell modeling and simulation" -authors = ["Jim Schaff "] repository = "https://github.com/virtualcell/pyvcell" documentation = "https://virtualcell.github.io/pyvcell/" readme = "README.md" +authors = [ + {name = "Jim Schaff", email = "schaff@uchc.edu"}, + {name = "Logan Drescher", email = "drescher@uchc.edu"} +] + packages = [ - {include = "pyvcell"}, + {include="pyvcell"}, +] +dependencies = [ + "antimony>=2.15.0,<3", + "h5py>=3.11.0,<4", + "imageio>=2.37.0,<3", + "libvcell>=0.0.15.1,<1", + "lxml>=5.3.1,<6", + "matplotlib>=3.10.0,<4", + "numexpr>=2.10,<3", + "numpy>=1.26.4,<3.0", + "orjson>=3.10.3,<4", + "overrides>=7.7.0,<8", + "pydantic>=2.10.5,<3", + "python-dateutil>=2.8.2,<3", + "python-libsbml>=5.20.4,<6", + "pyvcell-fvsolver>=0.1.1,<1", + "pyvista>=0.44.2,<1", + "requests>=2.32.3,<3", + "requests-oauth2client>=1.6.0,<2", + "sympy>=1.13.1,<2", + "tensorstore>=0.1.72,<1", + "trame>=3.8.1,<4", + "trame-server>=3.4.0,<4", + "trame-vtk>=2.8.15,<3", + "trame-vuetify>=2.8.1,<3", + "typer>=0.12.3,<1.0.0", + "typing-extensions>=4.12.2,<5", + "urllib3>=2.3.0,<3", + "vtk>=9.3.1,<10", + "zarr>=2.17.2,<3", ] -[tool.poetry.dependencies] -python = ">=3.11,<4.0" -numexpr = "^2.10.0" -zarr = "^2.17.2" -h5py = "^3.11.0" -numpy = ">=1.26.4,<3.0" -orjson = "^3.10.3" -vtk = "^9.3.1" -pyvcell-fvsolver = "^0.1.1" -typer = ">=0.12.3,<1.0.0" -pydantic = "^2.10.5" -requests-oauth2client = "^1.6.0" -overrides = "^7.7.0" -typing-extensions = "^4.12.2" -urllib3 = "^2.3.0" -requests = "^2.32.3" -python-dateutil = "^2.8.2" -python-libsbml = "^5.20.4" -matplotlib = "^3.10.0" -lxml = "^5.3.1" -imageio = "^2.37.0" -tensorstore = "^0.1.72" -libvcell = "^0.0.15" -trame = "^3.8.1" -trame-vtk = "^2.8.15" -trame-vuetify = "^2.8.1" -pyvista = "^0.44.2" -trame-server = "^3.4.0" -sympy = "^1.13.1" -antimony = "^2.15.0" - -[tool.poetry.group.dev.dependencies] -pytest = "^7.2.0" -pytest-cov = "^4.0.0" -deptry = "^0.16.2" -mypy = "^1.5.1" -pre-commit = "^3.8.0" -tox = "^4.11.1" -types-requests = "^2.32.0.20241016" -notebook = "^7.3.2" -lxml-stubs = "^0.5.1" -trame-jupyter-extension = "^2.1.4" -ipywidgets = "^8.1.5" -copasi-basico = ">=0.65" - -[tool.poetry.group.docs.dependencies] -mkdocs = "^1.6.1" -mkdocs-material = "^9.5.50" -mkdocstrings = {extras = ["python"], version = "^0.27.0"} -griffe = "^1.5.5" -mkdocs-jupyter = "^0.25.1" +[dependency-groups] +dev = [ + "pytest>=7.2.0,<8", + "pytest-cov>=4.0.0,<5", + "deptry>=0.16.2,<1", + "mypy>=1.5.1,<2", + "pre-commit>=3.8.0,<4", + "tox>=4.11.1,<5", + "types-requests>=2.32.0.20241016,<3", + "notebook>=7.3.2,<8", + "lxml-stubs>=0.5.1,<1", + "trame-jupyter-extension>=2.1.4,<3", + "ipywidgets>=8.1.5,<9", + "copasi-basico>=0.65,<1", +] +docs = [ + "mkdocs>=1.6.1,<2", + "mkdocs-material>=9.5.50,<10", + "mkdocstrings[python]>=0.27.0,<1", + "griffe>=1.5.5,<2", + "mkdocs-jupyter>=0.25.1,<1", +] [build-system] -requires = ["poetry-core>=1.0.0"] -build-backend = "poetry.core.masonry.api" +requires = ["uv_build >= 0.11.7, <0.12.0"] +build-backend = "uv_build" + +[tool.uv.build-backend] +module-name = "pyvcell" +module-root = "" [tool.mypy] files = ["pyvcell", "tests", "examples"] diff --git a/pyvcell/_internal/geometry/segmented_image_geometry.py b/pyvcell/_internal/geometry/segmented_image_geometry.py index 2de8b6f..952333f 100644 --- a/pyvcell/_internal/geometry/segmented_image_geometry.py +++ b/pyvcell/_internal/geometry/segmented_image_geometry.py @@ -91,14 +91,16 @@ def plot(self, save_path: str | Path | None = None) -> None: cmap = plt.colormaps["tab10"] label_to_pos = {label: i for i, label in enumerate(unique_labels)} - plotter = pv.Plotter(off_screen=True, window_size=(800, 600)) + plotter = pv.Plotter(off_screen=True, window_size=[800, 600]) for label in unique_labels: thresh = grid.threshold(value=[label - 0.5, label + 0.5], scalars="subvolume") color = cmap(label_to_pos[label] / max(n_labels - 1, 1))[:3] name = self.label_names.get(int(label), f"region_{label}") plotter.add_mesh(thresh, color=color, label=name, opacity=0.6) - plotter.add_legend() + plotter.add_legend() # type: ignore[call-arg] img = plotter.screenshot(return_img=True) + if img is None: + raise RuntimeError("Could not render image") plotter.close() fig, ax = plt.subplots(figsize=(8, 6)) diff --git a/pyvcell/sim_results/widget.py b/pyvcell/sim_results/widget.py index 4e2b947..6802fd9 100644 --- a/pyvcell/sim_results/widget.py +++ b/pyvcell/sim_results/widget.py @@ -127,9 +127,9 @@ def _render(self, variable: str, time_index: int, clip_level: float) -> None: # Render self.pl.clear() self.pl.add_mesh(clipped, name=variable, show_scalar_bar=True) - self.pl.show_bounds() - self.pl.show_grid() - self.pl.reset_camera() + self.pl.show_bounds() # type: ignore[call-arg] + self.pl.show_grid() # type: ignore[call-arg] + self.pl.reset_camera() # type: ignore[call-arg] self.pl.render() self.ctrl.view_update() diff --git a/tests/_internal/api/vcell_client/test_publication_api.py b/tests/_internal/api/vcell_client/test_publication_api.py index 3f7bd43..ab5faac 100644 --- a/tests/_internal/api/vcell_client/test_publication_api.py +++ b/tests/_internal/api/vcell_client/test_publication_api.py @@ -45,7 +45,7 @@ def test_get_publications() -> None: owner_name="Dolgitzer", owner_key=259537152, version_flag=3, - privacy=0 + privacy=0, ) ], mathmodel_refs=[], diff --git a/tests/_internal/geometry/test_segmented_image_geometry.py b/tests/_internal/geometry/test_segmented_image_geometry.py index fb8b45b..bcc9722 100644 --- a/tests/_internal/geometry/test_segmented_image_geometry.py +++ b/tests/_internal/geometry/test_segmented_image_geometry.py @@ -74,7 +74,8 @@ def test_to_pyvista(self, simple_seg: SegmentedImageGeometry) -> None: grid = simple_seg.to_pyvista() assert grid.dimensions == (11, 11, 11) assert grid.spacing == (1.0, 1.0, 1.0) - assert grid.origin == (0.0, 0.0, 0.0) + # seems to be mistyped in pyvista, documentation backs up this next origin assignment + assert grid.origin == (0.0, 0.0, 0.0) # type: 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.../scripts/fielddata_from_image_workflow.py | 3 +- .../scripts/fielddata_from_sim_workflow.py | 3 +- poetry.lock | 87 +++++++++++-------- pyproject.toml | 4 +- uv.lock | 59 ++++++++----- 6 files changed, 96 insertions(+), 62 deletions(-) diff --git a/Makefile b/Makefile index bc9e3ec..d3ba520 100644 --- a/Makefile +++ b/Makefile @@ -6,7 +6,7 @@ install: ## Install the uv environment and install the pre-commit hooks .PHONY: check check: ## Run code quality tools. - @echo "🚀 Checking Poetry lock file consistency with 'pyproject.toml': Running poetry check --lock" + @echo "🚀 Checking UV lock file consistency with 'pyproject.toml': Running uv lock --check" @uv lock --check @echo "🚀 Linting code: Running pre-commit" @uv run pre-commit run -a diff --git a/examples/scripts/fielddata_from_image_workflow.py b/examples/scripts/fielddata_from_image_workflow.py index 856a033..3d2a4e2 100644 --- a/examples/scripts/fielddata_from_image_workflow.py +++ 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