skpkg: pre-commit auto fixes

.flake8

@@ -7,7 +7,7 @@ exclude =
     build,
     dist,
     doc/source/conf.py
-max-line-length = 115
+max-line-length = 79
 # Ignore some style 'errors' produced while formatting by 'black'
 # https://black.readthedocs.io/en/stable/guides/using_black_with_other_tools.html#labels-why-pycodestyle-warnings
 extend-ignore = E203

.github/workflows/tests-on-pr.yml

@@ -14,7 +14,7 @@ jobs:
       run:
         shell: bash -l {0}
 
-    runs-on: ubuntu-latest
+    runs-on: macos-14
     steps:
       - name: Check out diffpy.srreal
         uses: actions/checkout@v4

.isort.cfg

@@ -1,5 +1,5 @@
 [settings]
 # Keep import statement below line_length character limit
-line_length = 115
+line_length = 79
 multi_line_output = 3
 include_trailing_comma = True

.pre-commit-config.yaml

@@ -14,7 +14,6 @@ repos:
     rev: v4.6.0
     hooks:
       - id: check-yaml
-        exclude: ^conda-recipe/meta\.yaml$
       - id: end-of-file-fixer
       - id: trailing-whitespace
       - id: check-case-conflict

news/pre-commit-auto.rst

@@ -0,0 +1,23 @@
+**Added:**
+
+* Update linelength to sk-package standard of 79 characters.
+
+**Changed:**
+
+* <news item>
+
+**Deprecated:**
+
+* <news item>
+
+**Removed:**
+
+* <news item>
+
+**Fixed:**
+
+* <news item>
+
+**Security:**
+
+* <news item>

src/diffpy/srreal/bondcalculator.py

@@ -19,7 +19,10 @@
 __all__ = ["BondCalculator"]
 
 from diffpy.srreal.srreal_ext import BondCalculator
-from diffpy.srreal.wraputils import propertyFromExtDoubleAttr, setattrFromKeywordArguments
+from diffpy.srreal.wraputils import (
+    propertyFromExtDoubleAttr,
+    setattrFromKeywordArguments,
+)
 
 # property wrappers to C++ double attributes
 

src/diffpy/srreal/bvscalculator.py

@@ -19,7 +19,10 @@
 __all__ = ["BVSCalculator"]
 
 from diffpy.srreal.srreal_ext import BVSCalculator
-from diffpy.srreal.wraputils import propertyFromExtDoubleAttr, setattrFromKeywordArguments
+from diffpy.srreal.wraputils import (
+    propertyFromExtDoubleAttr,
+    setattrFromKeywordArguments,
+)
 
 # Property wrappers to C++ double attributes
 

src/diffpy/srreal/overlapcalculator.py

@@ -19,7 +19,10 @@
 __all__ = ["OverlapCalculator"]
 
 from diffpy.srreal.srreal_ext import OverlapCalculator
-from diffpy.srreal.wraputils import propertyFromExtDoubleAttr, setattrFromKeywordArguments
+from diffpy.srreal.wraputils import (
+    propertyFromExtDoubleAttr,
+    setattrFromKeywordArguments,
+)
 
 # property wrappers to C++ double attributes
 

src/diffpy/srreal/pdfcalculator.py

@@ -18,8 +18,16 @@
     PDFCalculator      -- calculate PDF by peak summation in real space
 """
 
-from diffpy.srreal.srreal_ext import DebyePDFCalculator, PDFCalculator, fftftog, fftgtof
-from diffpy.srreal.wraputils import propertyFromExtDoubleAttr, setattrFromKeywordArguments
+from diffpy.srreal.srreal_ext import (
+    DebyePDFCalculator,
+    PDFCalculator,
+    fftftog,
+    fftgtof,
+)
+from diffpy.srreal.wraputils import (
+    propertyFromExtDoubleAttr,
+    setattrFromKeywordArguments,
+)
 
 # exported items
 __all__ = """
@@ -28,7 +36,12 @@
     """.split()
 
 # imports for backward compatibility
-from diffpy.srreal.pdfbaseline import LinearBaseline, PDFBaseline, ZeroBaseline, makePDFBaseline
+from diffpy.srreal.pdfbaseline import (
+    LinearBaseline,
+    PDFBaseline,
+    ZeroBaseline,
+    makePDFBaseline,
+)
 from diffpy.srreal.pdfenvelope import (
     PDFEnvelope,
     QResolutionEnvelope,
@@ -38,7 +51,12 @@
     makePDFEnvelope,
 )
 from diffpy.srreal.peakprofile import PeakProfile
-from diffpy.srreal.peakwidthmodel import ConstantPeakWidth, DebyeWallerPeakWidth, JeongPeakWidth, PeakWidthModel
+from diffpy.srreal.peakwidthmodel import (
+    ConstantPeakWidth,
+    DebyeWallerPeakWidth,
+    JeongPeakWidth,
+    PeakWidthModel,
+)
 
 # silence the pyflakes syntax checker
 assert all((fftftog, fftgtof))

src/diffpy/srreal/peakprofile.py

@@ -23,7 +23,11 @@
 __all__ = ["PeakProfile", "GaussianProfile", "CroppedGaussianProfile"]
 
 from diffpy.srreal import _final_imports
-from diffpy.srreal.srreal_ext import CroppedGaussianProfile, GaussianProfile, PeakProfile
+from diffpy.srreal.srreal_ext import (
+    CroppedGaussianProfile,
+    GaussianProfile,
+    PeakProfile,
+)
 from diffpy.srreal.wraputils import propertyFromExtDoubleAttr
 
 # class PeakProfile ----------------------------------------------------------

src/diffpy/srreal/peakwidthmodel.py

@@ -23,7 +23,12 @@
 __all__ = ["PeakWidthModel", "ConstantPeakWidth", "DebyeWallerPeakWidth", "JeongPeakWidth"]
 
 from diffpy.srreal import _final_imports
-from diffpy.srreal.srreal_ext import ConstantPeakWidth, DebyeWallerPeakWidth, JeongPeakWidth, PeakWidthModel
+from diffpy.srreal.srreal_ext import (
+    ConstantPeakWidth,
+    DebyeWallerPeakWidth,
+    JeongPeakWidth,
+    PeakWidthModel,
+)
 from diffpy.srreal.wraputils import propertyFromExtDoubleAttr
 
 # class PeakWidthModel -------------------------------------------------------

src/diffpy/srreal/scatteringfactortable.py

@@ -20,7 +20,13 @@
 __all__ = ["ScatteringFactorTable", "SFTXray", "SFTElectron", "SFTNeutron", "SFTElectronNumber", "SFAverage"]
 
 from diffpy.srreal.sfaverage import SFAverage
-from diffpy.srreal.srreal_ext import ScatteringFactorTable, SFTElectron, SFTElectronNumber, SFTNeutron, SFTXray
+from diffpy.srreal.srreal_ext import (
+    ScatteringFactorTable,
+    SFTElectron,
+    SFTElectronNumber,
+    SFTNeutron,
+    SFTXray,
+)
 
 # Pickling Support -----------------------------------------------------------
 

tests/test_atomradiitable.py

@@ -8,7 +8,11 @@
 
 import pytest
 
-from diffpy.srreal.atomradiitable import AtomRadiiTable, ConstantRadiiTable, CovalentRadiiTable
+from diffpy.srreal.atomradiitable import (
+    AtomRadiiTable,
+    ConstantRadiiTable,
+    CovalentRadiiTable,
+)
 
 # ----------------------------------------------------------------------------
 

tests/test_bondcalculator.py

@@ -8,7 +8,11 @@
 
 import numpy
 import pytest
-from testutils import loadDiffPyStructure, loadObjCrystCrystal, pickle_with_attr
+from testutils import (
+    loadDiffPyStructure,
+    loadObjCrystCrystal,
+    pickle_with_attr,
+)
 
 from diffpy.srreal.bondcalculator import BondCalculator
 

tests/test_overlapcalculator.py

@@ -9,7 +9,11 @@
 
 import numpy
 import pytest
-from testutils import loadDiffPyStructure, loadObjCrystCrystal, pickle_with_attr
+from testutils import (
+    loadDiffPyStructure,
+    loadObjCrystCrystal,
+    pickle_with_attr,
+)
 
 from diffpy.srreal.atomradiitable import CovalentRadiiTable
 from diffpy.srreal.overlapcalculator import OverlapCalculator

tests/test_pdfbaseline.py

@@ -9,7 +9,12 @@
 import numpy
 from testutils import pickle_with_attr
 
-from diffpy.srreal.pdfbaseline import LinearBaseline, PDFBaseline, ZeroBaseline, makePDFBaseline
+from diffpy.srreal.pdfbaseline import (
+    LinearBaseline,
+    PDFBaseline,
+    ZeroBaseline,
+    makePDFBaseline,
+)
 from diffpy.srreal.pdfcalculator import PDFCalculator
 
 # ----------------------------------------------------------------------------

tests/test_pdfcalculator.py

@@ -7,7 +7,12 @@
 import unittest
 
 import numpy
-from testutils import _maxNormDiff, datafile, loadDiffPyStructure, pickle_with_attr
+from testutils import (
+    _maxNormDiff,
+    datafile,
+    loadDiffPyStructure,
+    pickle_with_attr,
+)
 
 from diffpy.srreal.pdfcalculator import PDFCalculator, fftftog, fftgtof
 

tests/test_peakwidthmodel.py

@@ -10,7 +10,11 @@
 from testutils import loadDiffPyStructure
 
 from diffpy.srreal.pdfcalculator import DebyePDFCalculator, PDFCalculator
-from diffpy.srreal.peakwidthmodel import DebyeWallerPeakWidth, JeongPeakWidth, PeakWidthModel
+from diffpy.srreal.peakwidthmodel import (
+    DebyeWallerPeakWidth,
+    JeongPeakWidth,
+    PeakWidthModel,
+)
 from diffpy.srreal.structureadapter import createStructureAdapter
 
 # ----------------------------------------------------------------------------

tests/test_structureadapter.py

@@ -55,7 +55,10 @@ def test_createStructureAdapter(self):
 
     def test_createStructureAdapterTypes(self):
         """Check types returned by conversion from diffpy.structure."""
-        from diffpy.srreal.structureconverters import DiffPyStructureAtomicAdapter, DiffPyStructurePeriodicAdapter
+        from diffpy.srreal.structureconverters import (
+            DiffPyStructureAtomicAdapter,
+            DiffPyStructurePeriodicAdapter,
+        )
 
         adpt = createStructureAdapter(self.nickel)
         self.assertTrue(type(adpt) is DiffPyStructurePeriodicAdapter)