Update pipeline (#119)

.github/workflows/build.yml

@@ -12,7 +12,7 @@ jobs:
     strategy:
       matrix:
         platform: [ubuntu-latest, macos-latest, windows-latest]
-        python-version: ['3.8', '3.9', '3.10', '3.11']
+        python-version: ['3.9', '3.10', '3.11', '3.12']
 
     steps:
     - uses: actions/checkout@v3

.github/workflows/docs.yml

@@ -12,6 +12,10 @@ jobs:
 
     steps:
     - uses: actions/checkout@v3
+      with:
+        ref: ${{ github.head_ref }}
+        fetch-depth: 1
+        fetch-tags: True
     - name: Set up Python 3.10
       uses: actions/setup-python@v4
       with:

.github/workflows/lint.yml

@@ -13,7 +13,7 @@ jobs:
     strategy:
       matrix:
         platform: [ubuntu-latest, macos-latest, windows-latest]
-        python-version: ['3.8', '3.9', '3.10', '3.11']
+        python-version: ['3.9', '3.10', '3.11', '3.12']
 
     steps:
     - uses: actions/checkout@v3

.github/workflows/test.yml

@@ -12,7 +12,7 @@ jobs:
     strategy:
       matrix:
         platform: [ubuntu-latest, macos-latest, windows-latest]
-        python-version: ['3.8', '3.9', '3.10', '3.11']
+        python-version: ['3.9', '3.10', '3.11', '3.12']
 
     steps:
     - uses: actions/checkout@v3
@@ -27,9 +27,11 @@ jobs:
       run: tox -e test
 
     - name: Upload coverage to Codecov
-      uses: codecov/codecov-action@v3
+      uses: codecov/codecov-action@v4
       with:
         env_vars: OS,PYTHON
         files: ./coverage.xml
         fail_ci_if_error: true
         verbose: true
+      env:
+        CODECOV_TOKEN: ${{ secrets.CODECOV_TOKEN }}

devtools/check_changelog.py

@@ -5,11 +5,10 @@
 
 * additions are reported in CHANGELOG.rst
 """
+import os
 from pathlib import Path
 
-folder = Path(__file__).resolve().parents[1]
-changelog = Path('docs', 'CHANGELOG.rst')
-contributing = Path('docs', 'CONTRIBUTING.rst')
+import git
 
 
 class ChangelogError(Exception):
@@ -18,13 +17,27 @@ class ChangelogError(Exception):
     pass
 
 
-with open(Path(folder, changelog), 'r') as fin:
+folder = Path(__file__).resolve().parents[1]
+changelog = Path("docs", "CHANGELOG.rst")
+contributing = Path("docs", "CONTRIBUTING.rst")
+
+repo = git.Repo(folder)
+
+# Check if the developer is on the main branch
+# We check if the head commit is the same as the main branch head commit
+# as the CI will be in detached head state
+if repo.active_branch.name == 'main':
+    print("You are on the main branch. Nothing to check.")
+    exit(0)
+
+with open(Path(folder, changelog), "r") as fin:
     for line in fin:
-        if line.startswith('v'):
+        if line.startswith("v"):
             raise ChangelogError(
-                'You have not updated the CHANGELOG file. '
-                f'Please add a summary of your additions to {str(changelog)!r} '
-                f'as described in {str(contributing)!r}.'
-                )
-        elif line.startswith('*'):
-            break
+                "You have not updated the CHANGELOG file. "
+                f"Please add a summary of your additions to {str(changelog)!r}"
+                f" as described in {str(contributing)!r}."
+            )
+        elif line.startswith("*"):
+            print("Changelog updated.")
+            exit(0)

docs/CHANGELOG.rst

@@ -2,6 +2,9 @@
 Changelog
 =========
 
+* Add Python 3.12
+* Remove Python 3.8
+* Change handling of CHANGELOG checks
 
 v0.1.30 (2024-04-03)
 ------------------------------------------

pyproject.toml

@@ -12,7 +12,7 @@ authors = [
     {name = "MDAnalysis Development Team and contributors", email = "[email protected]"},
 ]
 readme = "README.rst"
-requires-python = ">=3.8"
+requires-python = ">=3.9"
 keywords = [
     "python",
     "cli",
@@ -36,10 +36,10 @@ classifiers = [
     "Operating System :: MacOS :: MacOS X",
     "Operating System :: Microsoft :: Windows",
     "Programming Language :: Python :: 3",
-    "Programming Language :: Python :: 3.8",
     "Programming Language :: Python :: 3.9",
     "Programming Language :: Python :: 3.10",
     "Programming Language :: Python :: 3.11",
+    "Programming Language :: Python :: 3.12",
     "Topic :: Scientific/Engineering",
     "Topic :: Scientific/Engineering :: Bio-Informatics",
     "Topic :: Scientific/Engineering :: Chemistry",

tox.ini

@@ -71,7 +71,6 @@ skip_install = true
 commands_pre = python {toxinidir}/devtools/clean_dist_check.py
 commands =
     python --version
-    python {toxinidir}/devtools/check_changelog.py
     python -m build
     twine check dist/*.whl
     twine check dist/*.tar.gz
@@ -95,8 +94,10 @@ commands =
 usedevelop = true
 deps =
     -r{toxinidir}/devtools/docs_requirements.txt
+    gitpython
 commands =
     sphinx-build {posargs:-E} -b html docs/rst dist/docs
+    python {toxinidir}/devtools/check_changelog.py
 
 [testenv:safety]
 deps = safety