Adds local pre-commit hook for ruff linting auto fixes

.github/workflows/test.yml

@@ -13,6 +13,7 @@ jobs:
       - uses: actions/checkout@v4
       - uses: astral-sh/ruff-action@v3
         with:
+          version: "latest"
           args: "check --fix-only --exit-non-zero-on-fix"
       - uses: pre-commit-ci/lite-action@v1.1.0
         if: always()

.gitignore

@@ -26,6 +26,3 @@ __pycache__
 # are part of the repo and required by some models.
 /sasmodels/models/lib/gauss*.c
 sasmodels/_version.py
-
-# Local pre-commit hooks
-.pre-commit-config.yaml

.pre-commit-config.yaml

@@ -0,0 +1,10 @@
+default_install_hook_types: [pre-commit, pre-push]
+
+repos:
+  - repo: https://github.com/astral-sh/ruff-pre-commit
+    rev: v0.12.9
+    hooks:
+      # Run the linter, applying any available fixes
+      - id: ruff-check
+        stages: [ pre-commit, pre-push ]
+        args: [ --fix-only ]

build_tools/requirements-dev.txt

@@ -0,0 +1 @@
+pre-commit

pyproject.toml

@@ -70,6 +70,7 @@ files = [ "build_tools/requirements.txt" ]
 
 [tool.hatch.metadata.hooks.requirements_txt.optional-dependencies]
 test = [ "build_tools/requirements-test.txt" ]
+dev = [ "build_tools/requirements-dev.txt" ]
 server = [ "build_tools/requirements-server.txt" ]
 OpenCL = [ "build_tools/requirements-opencl.txt" ]
 CUDA = [ "build_tools/requirements-cuda.txt" ]
@@ -169,6 +170,7 @@ select = ["E",       # pycodestyle errors
           "F",       # pyflakes
           "I",       # isort
           "UP",      # pyupgrade
+          "W",       # pycodestyle warnings
           "SIM118",  # Use `key in dict` instead of `key in dict.keys()`
           "SIM300"]  # Yoda condition detected
 

sasmodels/TwoYukawa/CalTYSk.py

@@ -1,8 +1,8 @@
 import numpy as np
-from numpy import pi, mean
+from numpy import mean, pi
 
-from .Ecoefficient import TYCoeff
 from .CalcRealRoot import CalRealRoot
+from .Ecoefficient import TYCoeff
 from .TInvFourier import TInvFourier
 
 # Supplied Q vector must go out to at least this value to calculate g(r).

sasmodels/TwoYukawa/CalcRealRoot.py

@@ -3,6 +3,7 @@
 from .Ecoefficient import TYCoeff
 from .Epoly import make_poly
 
+
 def CalRealRoot(coeff: TYCoeff):
 
     Ecoefficient = coeff.Ecoefficient

sasmodels/TwoYukawa/Ecoefficient.py

@@ -1,7 +1,7 @@
 from typing import Callable, Tuple
 
 import numpy as np
-from numpy import exp, pi, cos, sin, cosh
+from numpy import cos, cosh, exp, pi, sin
 from numpy.typing import NDArray
 
 # CalCoeff.m
@@ -194,17 +194,17 @@ def ABC12(d1, d2):
               Ccd2_22*Cdd1_12*d1*d2**2 -
               Ccd1_21*Cdd2_22*d1*d2**2 -
               Ccd2_22*d2*k1 + Ccd1_21*d1*k2)))/
-        ((d1*((
+        (d1*(
               (-Ccd1_21)*Ccd2_12*d2 +
-                Ccd1_11*Ccd2_22*d2)))))
+                Ccd1_11*Ccd2_22*d2)))
         C2 = ((-((Ccd2_12*d2*
                 (((-Cd1_1)*d1 - Cdd1_11*d1**2 -
                     Cdd1_12*d1*d2 + k1)) -
               Ccd1_11*d1*
                 (((-Cd2_2)*d2 - Cdd2_12*d1*d2 -
                     Cdd2_22*d2**2 + k2))))) /
-        (((-Ccd1_21)*Ccd2_12*d1*d2 +
-            Ccd1_11*Ccd2_22*d1*d2)))
+        ((-Ccd1_21)*Ccd2_12*d1*d2 +
+            Ccd1_11*Ccd2_22*d1*d2))
         return A, B, C1, C2
     self.ABC12 = ABC12
 
@@ -370,10 +370,10 @@ def tau_d21(s):
 
     E1d02 = 12*c1F01*phi*sigma_d01(z1) - 12*c1F01*exp(-z1)*phi*tau_d01(z1)
 
-    E1d11 = (((12*c1F10*phi*sigma_d01(z1) + \
+    E1d11 = (12*c1F10*phi*sigma_d01(z1) + \
           12*c1F01*phi*sigma_d10(z1) - \
           12*c1F10*exp(-z1)*phi*tau_d01(z1) - \
-          12*c1F01*exp(-z1)*phi*tau_d10(z1))))
+          12*c1F01*exp(-z1)*phi*tau_d10(z1))
     E1d12 = (-c1F01 + 12*c1F11*phi*sigma_d01(z1) +
              12*c1F01*phi*sigma_d11(z1) -
              12*c1F11*exp(-z1)*phi*tau_d01(z1) -

sasmodels/TwoYukawa/TFourier.py

@@ -1,6 +1,7 @@
-from numpy import exp, pi, arange, linspace, abs, ceil, log2, interp
+from numpy import abs, arange, ceil, exp, interp, linspace, log2, pi
 from numpy.fft import fft
 
+
 def TFourier(x, y, deltaX):
     """
     Compute the Fourier transform of a function y(x) with sampling interval deltaX.
@@ -40,4 +41,4 @@ def TFourier(x, y, deltaX):
     w = w_min + R_w * arange(N) / N
     # Yw(k) = sum_1^N x(j)* exp(-2*pi*i*(j-1)(k-1)/N)
 
-    return w, Yw
+    return w, Yw

sasmodels/TwoYukawa/TInvFourier.py

@@ -1,6 +1,7 @@
-from numpy import exp, ceil, log2, pi, arange, interp
+from numpy import arange, ceil, exp, interp, log2, pi
 from numpy.fft import fft
 
+
 def TInvFourier(x, y, deltaX):
     """
     Inverse Fourier transform implementation
@@ -43,4 +44,4 @@ def TInvFourier(x, y, deltaX):
     # t = np.flip(t)
     # Yw(k) = sum_1^N x(j)* exp(-2*pi*i*(j-1)(k-1)/N)
 
-    return t, Yt
+    return t, Yt

sasmodels/models/two_yukawa.py

@@ -94,7 +94,7 @@
 from numpy import inf
 
 # TODO: pep8 says packages and modules should not use camel case
-from sasmodels.TwoYukawa.CalTYSk import CalTYSk, K_MIN, Z_MIN, Z_MIN_DIFF
+from sasmodels.TwoYukawa.CalTYSk import K_MIN, Z_MIN, Z_MIN_DIFF, CalTYSk
 
 # If you want a customized version of two_yukawa as a plugin (for example,
 # because you want to use the high precision polynomial root solver from mpmath)
@@ -104,9 +104,9 @@
 #     https://github.com/SasView/sasmodels/tree/master/sasmodels/models/two_yukawa.py
 #     https://github.com/SasView/sasmodels/tree/master/sasmodels/TwoYukawa
 if 0:
+    import importlib.util
     import sys
     from pathlib import Path
-    import importlib.util
 
     # Remove existing TwoYukawa from sys.modules to force a reload
     remove = [modname for modname in sys.modules if modname.startswith('TwoYukawa.') or modname == 'TwoYukawa']
@@ -121,7 +121,7 @@
     sys.modules['TwoYukawa'] = module
 
     # Override sasmodels library symbols with the local symbols.
-    from TwoYukawa.CalTYSk import CalTYSk, K_MIN, Z_MIN, Z_MIN_DIFF
+    from TwoYukawa.CalTYSk import K_MIN, Z_MIN, Z_MIN_DIFF, CalTYSk
 
 name = "two_yukawa"
 title = "User model for two Yukawa structure factor (S(q))"