Merge pull request #89 from bobleesj/cookie-py312

Support Python 3.12 with CI, move tests to top level

Author: sbillinge

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

@@ -0,0 +1,16 @@
+name: Tests on PR
+
+on:
+  push:
+    branches:
+      - main
+  pull_request:
+  workflow_dispatch:
+
+jobs:
+  validate:
+    uses: Billingegroup/release-scripts/.github/workflows/_tests-on-pr.yml@v0
+    with:
+      project: diffpy.srfit
+      c_extension: false
+      headless: false

conda-recipe/meta.yaml renamed to conda-recipe/meta.txt

@@ -0,0 +1,6 @@
+name: diffpy.srfit
+channels:
+  - conda-forge
+dependencies:
+  - python=3
+  - pip

conda-recipe/run_test.py renamed to conda-recipe/run_test.txt

@@ -1,20 +1,58 @@
+[build-system]
+requires = ["setuptools>=62.0", "setuptools-git-versioning>=2.0"]
+build-backend = "setuptools.build_meta"
+
+[project]
+name = "diffpy.srfit"
+dynamic=['version', 'dependencies']
+classifiers = [
+        'Development Status :: 5 - Production/Stable',
+        'Environment :: Console',
+        'Intended Audience :: Developers',
+        'Intended Audience :: Science/Research',
+        'Operating System :: MacOS :: MacOS X',
+        'Operating System :: Microsoft :: Windows',
+        'Operating System :: POSIX',
+        'Operating System :: Unix',
+        'Topic :: Scientific/Engineering :: Physics',
+        'Topic :: Scientific/Engineering :: Chemistry',
+]
+
+
+[tool.setuptools-git-versioning]
+enabled = true
+template = "{tag}"
+dev_template = "{tag}"
+dirty_template = "{tag}"
+
+[tool.setuptools.packages.find]
+where = ["src"]  # list of folders that contain the packages (["."] by default)
+include = ["*"]  # package names should match these glob patterns (["*"] by default)
+exclude = []  # exclude packages matching these glob patterns (empty by default)
+namespaces = false  # to disable scanning PEP 420 namespaces (true by default)
+
+[tool.setuptools.dynamic]
+dependencies = {file = ["requirements/run.txt"]}
+
 [tool.black]
 line-length = 115
 include = '\.pyi?$'
 exclude = '''
 /(
-    \.git\
+    \.git
+  | \.hg
   | \.mypy_cache
   | \.tox
   | \.venv
-  | _build/
+  | \.rst
+  | \.txt
+  | _build
   | buck-out
   | build
   | dist
+
+  # The following are specific to Black, you probably don't want those.
   | blib2to3
-  | tests/data/
-  | hooks/post_gen_project.py$
-  | .*\.py$
-  | .*\.toml$
+  | tests/data
 )/
 '''

environment.yml

@@ -0,0 +1,3 @@
+scipy
+numpy
+matplotlib

pyproject.toml

@@ -0,0 +1,6 @@
+flake8
+pytest
+codecov
+coverage
+pytest-cov
+pytest-env