moved project management to uv

.github/workflows/deploy_pypi.yaml

@@ -19,14 +19,14 @@ jobs:
       uses: actions/setup-python@v5
       with:
         python-version: "3.x"
-    - name: Install pypa/build
-      run: >-
-        python3 -m
-        pip install
-        build
-        --user
+    - name: Install uv
+      uses: astral-sh/setup-uv@v3
+      with:
+        version: "latest"
+    - name: Install dependencies
+      run: uv sync
     - name: Build a binary wheel and a source tarball
-      run: python3 -m build
+      run: uv build
     - name: Store the distribution packages
       uses: actions/upload-artifact@v4
       with:

.github/workflows/make_docs.yaml

@@ -18,9 +18,15 @@ jobs:
       - uses: actions/setup-python@v4
         with:
           python-version: 3.x
+      - name: Install uv
+        uses: astral-sh/setup-uv@v3
+        with:
+          version: "latest"
       - uses: actions/cache@v4
         with:
           path: .cache
           key: ${{ github.ref }}
-      - run: pip install mkdocs-material jupyter nbconvert mkdocs-jupyter mkdocs-plotly-plugin
-      - run: mkdocs gh-deploy --force
+      - name: Install dependencies
+        run: uv sync --group dev
+      - name: Build and deploy docs
+        run: uv run mkdocs gh-deploy --force

.github/workflows/tests.yaml

@@ -18,12 +18,13 @@ jobs:
         with:
           python-version: ${{ matrix.python-version }}
 
+      - name: Install uv
+        uses: astral-sh/setup-uv@v3
+        with:
+          version: "latest"
+
       - name: Install dependencies
-        run: |
-          python -m pip install --upgrade pip
-          python -m pip install poetry
-          poetry install --with dev
+        run: uv sync --group dev
 
       - name: Run tests with pytest
-        run: |
-          poetry run pytest --nbval-lax
+        run: uv run pytest --nbval-lax

.gitignore

@@ -165,4 +165,7 @@ cython_debug/
 #.idea/
 
 
-.test_example.py
+.test_example.py
+.python-version
+.ruff_cache/
+uv.lock

.pre-commit-config.yaml

@@ -0,0 +1,33 @@
+repos:
+  - repo: local
+    hooks:
+      - id: sort_pyproject
+        name: sort_pyproject
+        entry: toml-sort -i --sort-table-keys --sort-inline-tables
+        language: python
+        files: ^pyproject\.toml$
+        additional_dependencies: ["toml-sort==0.23.1"]
+
+  - repo: https://github.com/astral-sh/ruff-pre-commit
+    rev: v0.6.4
+    hooks:
+      - id: ruff-format
+        types_or: [python, pyi, jupyter]    # drop toml to avoid conflicts
+      - id: ruff
+        types_or: [python, pyi, jupyter, toml]
+        args: [--fix]
+
+  - repo: https://github.com/RobertCraigie/pyright-python
+    rev: v1.1.379
+    hooks:
+      - id: pyright
+        # use the packaged pyright for reproducibility
+        language: python
+        additional_dependencies: ["pyright==1.1.379"]
+
+  - repo: https://github.com/pre-commit/pre-commit-hooks
+    rev: v4.6.0
+    hooks:
+      - id: check-merge-conflict
+      - id: check-added-large-files
+        args: ["--maxkb=5000"]

calipytion/__init__.py

@@ -1,3 +1,4 @@
 from .tools import Calibrator
 
 __all__ = ["Calibrator"]
+__version__ = "1.0.1"

pyproject.toml

@@ -1,40 +1,45 @@
-[tool.poetry]
+[project]
 name = "calipytion"
-version = "1.0.0"
+version = "1.0.1"
 description = "Tool for creating standard curves and concentration calculations."
-authors = ["haeussma <83341109+haeussma@users.noreply.github.com>"]
-license = "MIT License"
+authors = [{ name = "haeussma", email = "83341109+haeussma@users.noreply.github.com" }]
+license = {text = "MIT"}
 readme = "Readme.md"
-packages = [{include = "calipytion"}]
+requires-python = ">=3.10,<3.16"   
+dependencies = [
+    "httpx>=0.25.0",
+    "lmfit>=1.0.0",
+    "matplotlib>=3.8.0",
+    "mdmodels>=0.2.0",
+    "nbformat>=5.0.0",
+    'numpy>=1.26,<2; python_version < "3.13"',
+    'numpy>=2; python_version >= "3.13"',
+    "pandas[excel]>=2.0,<3.0",
+    "plotly>=6.3.0",
+    "pydantic>=2.0.0",
+    "pyenzyme>=2.1.0",
+    "rich>=13.0.0",
+    "sympy>=1.0.0",
+    "toml>=0.10.2",
+]
 
-[tool.poetry.dependencies]
-python = "^3.10"
-plotly = "^5.18.0"
-numpy = "^1.26.4"
-lmfit = "^1.2.2"
-sympy = "^1.12"
-matplotlib = ">=3.7"
-nbformat = "^5.10.4"
-pydantic = "^2.4"
-rich = "^13"
-pandas = { version = ">=2.0,<3.0", extras = ["excel"] }
-toml = "^0.10.2"
-pyenzyme = "^2.0.0"
-httpx = ">=0.27.0"
-mdmodels = "^0.2.0"
+[tool.mypy]
+ignore_missing_imports = true
 
-[tool.poetry.group.dev.dependencies]
-mkdocs-material = "^9.5.8"
-pytest = "^8.0.0"
-devtools = "^0.12.2"
-notebook = "<7"
-mkdocs-plotly-plugin = "^0.1.3"
-pandas-stubs = "^2.2.2.240807"
-nbval = "^0.11.0"
+[dependency-groups]
+dev = [
+    "devtools>=0,<1",
+    "mkdocs-material>=9,<10",
+    "mkdocs-plotly-plugin>=0,<1",
+    "nbval>=0,<1",
+    "notebook>=6,<7",
+    "pandas-stubs>=2,<3",
+    "pytest>=8,<9",
+]
 
 [build-system]
-requires = ["poetry-core"]
-build-backend = "poetry.core.masonry.api"
+requires = ["hatchling>=1.25"]
+build-backend = "hatchling.build"
 
-[tool.mypy]
-ignore_missing_imports = true
+[tool.hatch.build.targets.wheel]
+packages = ["calipytion"]