use ruff

Author: nikolasibalic

.github/workflows/wheels.yaml

@@ -21,45 +21,42 @@ jobs:
 
     steps:
       - uses: actions/checkout@v4
-      - name: Set up Python ${{ matrix.python-version }}
-        uses: actions/setup-python@v5
+      - name: Install uv and set the python version
+        uses: astral-sh/setup-uv@v4
         with:
           python-version: ${{ matrix.python-version }}
       - name: Install dependencies
         run: |
-          python -m pip install --upgrade pip
-          pip install flake8 pytest black "black[jupyter]"
-          pip install build
-      - name: Check
+          uv venv
+          uv run python -m compileall -f arc/*.py
+      - name: Lint and format check
         run: |
           # stop the build if there are Python syntax errors or undefined names
-          flake8 --version
-          flake8 . --count --show-source --statistics
-          black --version
-          black -l 80 . --check
-          python  -m compileall -f arc/*.py
+          uvx ruff check
+          uv run python -m compileall -f arc/*.py
+      - name: Typing check
+        run: |
+          uv run mypy .
 
   function_test:
     name: Basic test suite  
     runs-on: ubuntu-latest
     needs: [format_test]
     steps:
       - uses: actions/checkout@v4
-      - name: Set up Python 3.12
-        uses: actions/setup-python@v5
+      - name: Install uv and set the python version
+        uses: astral-sh/setup-uv@v4
         with:
-          python-version: 3.12
+          python-version: ${{ matrix.python-version }}
       - name: Setup ARC
         run: |
-          pip install .
-          pip install pytest coverage
-          pytest --version
+          uv venv
       - name: Run tests
         run:
-          coverage run -m pytest -s -v
+          uv run coverage run -m pytest -s -v
       - name: Coverage report
         run:
-          coverage report -m
+          uv run coverage report -m
 
   build_wheels:
     name: Build wheels on ${{ matrix.os }}

.gitignore

@@ -15,3 +15,4 @@ dist/
 /doc/divalent_atom_data
 /doc/generated
 /doc/_static
+.coverage

.python-version

@@ -0,0 +1 @@
+3.12

arc/alkali_atom_functions.py

@@ -674,7 +674,7 @@ def _parseLevelsFromNIST(self, fileData: str):
         f.close()
         return levels
 
-    def _addEnergy(self, n: int, l: float, j: float, energyNIST: float):
+    def _addEnergy(self, n: int, l: int, j: float, energyNIST: float):
         """
         Adding energy levels
 
@@ -2886,6 +2886,7 @@ def getSphericalMatrixElementHFStoFS(
             for f2 in np.arange(
                 max(self.I - j2, abs(mf2), f1 - 1), 1 + min(self.I + j2, f1 + 1)
             ):
+                f2 = cast(float, f2)
                 # Enforce Triangle Rule
                 if abs(j2 - self.I) <= f2:
                     # CG multiplied by <j1 f1 mf1|er_q|j2 f2 mf2> in units of <j1 || er || j2 >
@@ -3160,6 +3161,7 @@ def getBranchingRatio(
         UsedModulesARC.hyperfine = True
         b = 0.0
         for q in np.arange(-1, 2):
+            q = cast(int, q)
             b += (
                 self.getSphericalDipoleMatrixElement(fg, mfg, fe, mfe, q) ** 2
                 * self._reducedMatrixElementFJ(jg, fg, je, fe) ** 2
@@ -3869,9 +3871,9 @@ def NumerovBack(
 
     br = divergencePoint
     while br > 0:
-        rad[br] = rad[br + 1] - step
-        sol[br] = 0
-        br -= 1
+        rad[br] = rad[br + 1] - step  # type: ignore
+        sol[br] = 0  # type: ignore
+        br -= 1  # type: ignore
 
     # convert R(r)*r^{3/4} to  R(r)*r
     sol = np.multiply(sol, np.sqrt(rad))

doc/contribute.rst

@@ -74,12 +74,15 @@ Finally, this is the naming convention. of the original package. For consistency
 Code format
 -----------
 
-Please run ``black``  in the repository folder fixing line length to 80 characters::
+Please run install `uv` and run linter::
 
-    black -l 80 .
+    pip install uv
+    uvx ruff format
+    uvx ruff check
 
-And then run linter
+and resolve any errors that appear there before submitting code.
 
-    flake8 .
+Optionally also check typing::
 
-and resolve any erros that appear there before submitting code.
+    uv pip install mypy
+    uv run mypy .

pyproject.toml

@@ -74,11 +74,19 @@ Repository = "https://github.com/nikolasibalic/ARC-Alkali-Rydberg-Calculator"
 Documentation = "https://arc-alkali-rydberg-calculator.readthedocs.io/en/latest/"
 Download = "https://github.com/nikolasibalic/ARC-Alkali-Rydberg-Calculator/archive/refs/tags/v3.6.0.tar.gz"
 
+[dependency-groups]
+dev = [
+    "cibuildwheel>=2.22.0",
+    "coverage>=7.6.1",
+    "mypy>=1.14.0",
+    "pytest>=8.3.4",
+]
+
 [tool.cibuildwheel]
 skip = ["*-win32", "*-manylinux_i686", "*-musllinux_i686" ,"pp*"]
 
 [tool.mypy]
-disable_error_code = ["import-untyped"]
+disable_error_code = ["import-untyped", "import-not-found"]
 
 [tool.ruff]
 # Exclude a variety of commonly ignored directories.