MAINT(cfg): Refactor configuration files

.github/autolabels.yml

@@ -7,7 +7,8 @@ build:
   - any-glob-to-any-file:
     - setup.py
     - setup.cfg
-    - pyproject.toml
+    - .pyproject.toml
+    - .pyproject_cuda.toml
     - Makefile
     - MANIFEST.in
     - deploy/pkg/**/*
@@ -29,7 +30,8 @@ maintenance:
   - any-glob-to-any-file:
     - setup.py
     - setup.cfg
-    - pyproject.toml
+    - .pyproject.toml
+    - .pyproject_cuda.toml
     - Makefile
     - MANIFEST.in
     - NOTES.md

.github/workflows/cd.yml

@@ -67,6 +67,9 @@ jobs:
       - name: Install packaging requirements
         run: python -m pip install --upgrade build twine
 
+      - name: Copy Python project configuration file
+        run: cp .pyproject.toml pyproject.toml
+
       - name: Build source distribution
         run: python -m build --sdist --outdir dist/ .
 
@@ -139,12 +142,15 @@ jobs:
             echo "MACOSX_VERS_MIN=10.15" >> "${GITHUB_ENV}"
           fi
 
+      - name: Copy Python project configuration file
+        run: cp .pyproject.toml pyproject.toml
+
       - name: Build built distribution
         uses: pypa/cibuildwheel@v2.20.0
         with:
           package-dir: .
           output-dir: dist/
-          config-file: .pyproject.toml
+          config-file: pyproject.toml
         env:
           # # Default to GCC compiler and OpenMP on macOS.
           # # HACK: Hardcode g++ compiler choice on recent GitHub macOS

.github/workflows/cd_cuda.yml

@@ -59,13 +59,6 @@ jobs:
       - name: Checkout
         uses: actions/checkout@v4
 
-      - uses: Jimver/cuda-toolkit@master
-        id: cuda-toolkit
-        with:
-          log-file-suffix: '${{matrix.os}}_cudatoolkit_log.txt'
-          method: 'network'
-          sub-packages: '["nvcc", "cufft"]'
-
       - name: Set up Python 3
         uses: actions/setup-python@v5
         with:
@@ -74,12 +67,15 @@ jobs:
       - name: Install packaging requirements
         run: python -m pip install --upgrade twine
 
+      - name: Copy Python project configuration file
+        run: cp .pyproject_cuda.toml pyproject.toml
+
       - name: Build built distribution
         uses: pypa/cibuildwheel@v2.20.0
         with:
           package-dir: .
           output-dir: dist/
-          config-file: .pyproject_cuda.toml
+          config-file: pyproject.toml
         env:
           CIBW_ENVIRONMENT: >-
             PY_CXX=nvcc

.github/workflows/cd_xp.yml

@@ -146,12 +146,15 @@ jobs:
             echo "MACOSX_VERS_MIN=10.15" >> "${GITHUB_ENV}"
           fi
 
+      - name: Copy Python project configuration file
+        run: cp .pyproject.toml pyproject.toml
+
       - name: Build built distribution
         uses: pypa/cibuildwheel@v2.20.0
         with:
           package-dir: .
           output-dir: dist/
-          config-file: .pyproject.toml
+          config-file: pyproject.toml
         env:
           # Specify target architecture.
           CIBW_ARCHS_LINUX: ${{ env.TARGET_ARCH_ALT }}

.github/workflows/ci.yml

@@ -17,7 +17,8 @@ on:
       - tests/**
       - setup.py
       - setup.cfg
-      - pyproject.toml
+      - .pyproject.toml
+      - .pyproject_cuda.toml
       - MANIFEST.in
       - Makefile
       - .gitignore
@@ -29,7 +30,8 @@ on:
       - tests/**
       - setup.py
       - setup.cfg
-      - pyproject.toml
+      - .pyproject.toml
+      - .pyproject_cuda.toml
       - MANIFEST.in
       - Makefile
       - .gitignore

.pre-commit-config.yaml

@@ -82,7 +82,7 @@ repos:
   #   hooks:
   #     - id: docformatter
   #       additional_dependencies: ['tomli']
-  #       args: ['--in-place', '--config', './pyproject.toml']
+  #       args: ['--in-place', '--config', './.pyproject.toml']
 
   - repo: https://github.com/pre-commit/pygrep-hooks
     rev: v1.10.0
@@ -99,7 +99,7 @@ repos:
     rev: v2.3.0
     hooks:
       - id: codespell
-        args: ['--write-changes']
+        args: ['--write-changes', '--toml', './.pyproject.toml']
         additional_dependencies:
           - tomli
 

.pyproject_cuda.toml

@@ -105,12 +105,7 @@ manylinux-aarch64-image = 'manylinux_2_28'
 
 [tool.cibuildwheel.linux]
 before-all = [
-    "yum install -y gsl-devel fftw3-devel",
-]
-
-[tool.cibuildwheel.macos]
-before-all = [
-    "brew install gsl fftw libomp",
+    "yum install -y gsl-devel cuda-toolkit",
 ]
 
 [tool.autopep8]

.ruff.toml

@@ -0,0 +1,33 @@
+target-version = 'py310'
+line-length = 79
+exclude = [
+    ".eggs",
+    ".git",
+    ".git-rewrite",
+    ".ipynb_checkpoints",
+    ".nox",
+    ".pyenv",
+    ".pytest_cache",
+    ".ruff_cache",
+    ".tox",
+    ".venv",
+    ".vscode",
+    "__pypackages__",
+    "build",
+    "dist",
+    "node_modules",
+    "site-packages",
+    "venv",
+]
+
+[lint]
+fixable = ['ALL']
+unfixable = []
+
+# [format]
+# quote-style = 'preserve'
+# indent-style = 'space'
+# line-ending = 'auto'
+# skip-magic-trailing-comma = true
+# docstring-code-format = false
+# docstring-code-line-length = 'dynamic'

deploy/pkg/prerelease_ops.sh

@@ -6,7 +6,8 @@
 #
 
 THIS_DIR="$(cd -- "$(dirname -- "${BASH_SOURCE[0]}")" &> /dev/null && pwd)"
+CONFIG_FILE="${THIS_DIR}/../../.pyproject.toml"
 export PYTHONPATH="${PYTHONPATH}:${THIS_DIR}"
 
-semantic-release -v changelog 2> /dev/null
-semantic-release -v --noop version # 2> /dev/null
+semantic-release -v --config ${CONFIG_FILE} changelog 2> /dev/null
+semantic-release -v --config ${CONFIG_FILE} --noop version # 2> /dev/null

setup.cfg

@@ -75,3 +75,27 @@ minversion = 7.0
 addopts = --full-trace --verbose --capture=no --runslow
 testpaths =
     tests
+
+[pycodestyle]  # AKA: tool.autopep8
+in-place = true
+recursive = true
+aggressive = 3
+max_line_length = 79
+ignore = E226
+
+[tool:numpydoc_validation]
+checks = all,ES01,EX01,GL01,GL02,GL03,GL06,RT02,SA01,SS06,
+exclude = test_.*,\.__init__$,\.__repr__$,\.__str__$,\.__hash__$,\.__len__$,\.__getitem__$,\.__eq__$,\.__le__$,\.__lt__$,\.__gt__$,\.__ge__$,
+
+# [docformatter]
+# recursive = true
+# wrap-summaries = 72
+# wrap-descriptions = 72
+# blank = true
+# close-quotes-on-newline = true
+
+# [codespell]
+# skip = publication/joss/paper.bib,
+# ignore-words-list = ERRO,
+# count = true
+# quiet-level = 3