Merge main to v0

.flake8

@@ -0,0 +1,11 @@
+[flake8]
+exclude =
+    .git,
+    __pycache__,
+    build,
+    dist,
+    doc/source/conf.py
+max-line-length = 115
+# 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

@@ -63,6 +63,7 @@ jobs:
       - name: Validate ${{ inputs.project }}
         run: |
           if ${{ inputs.headless }}; then
-            xport DISPLAY=:99
+            export DISPLAY=:99
+
           fi
           python -m pytest

.github/workflows/check-news.py

@@ -17,7 +17,9 @@ def get_added_files(pr: PullRequest.PullRequest):
 
 
 def check_news_file(pr):
-    return any(map(lambda file_name: fnmatch(file_name, "news/*.rst"), get_added_files(pr)))
+    return any(
+        map(lambda file_name: fnmatch(file_name, "news/*.rst"), get_added_files(pr))
+    )
 
 
 def get_pr_number():
@@ -29,7 +31,9 @@ def get_pr_number():
 
 def get_old_comment(pr: PullRequest.PullRequest):
     for comment in pr.get_issue_comments():
-        if ("github-actions" in comment.user.login) and ("No news item is found" in comment.body):
+        if ("github-actions" in comment.user.login) and (
+            "No news item is found" in comment.body
+        ):
             return comment
 
 
@@ -41,20 +45,22 @@ def main():
     has_news_added = check_news_file(pr)
     old_comment = get_old_comment(pr)
 
-    if old_comment:
-        print("Found an existing comment from bot")
-        if has_news_added:
-            print("Delete warning from bot, since news items is added.")
+    if has_news_added:
+        if old_comment:
+            print("Found an existing comment from bot")
+            print("Delete warning from bot, since news item is added.")
             old_comment.delete()
-    elif not has_news_added:
+    else:
         print("No news item found")
-
-        pr.create_issue_comment(
-            """\
-**Warning!** No news item is found for this PR. If this is an user facing change/feature/fix,
- please add a news item by copying the format from `news/TEMPLATE.rst`.
+        if old_comment:
+            print("Old warning remains relevant, no action needed.")
+        else:
+            pr.create_issue_comment(
+                """\
+**Warning!** No news item is found for this PR. If this is a user-facing change/feature/fix,
+please add a news item by copying the format from `news/TEMPLATE.rst`.
 """
-        )
+            )
         assert False
 
 

.github/workflows/templates/matrix-and-codecov-on-merge-to-main.yml

@@ -8,7 +8,7 @@ on:
     types:
       - prereleased
       - published
-  workflow_dispatch: null
+  workflow_dispatch:
 
 jobs:
   coverage:

.gitignore

@@ -0,0 +1,99 @@
+# Byte-compiled / optimized / DLL files
+__pycache__/
+*.py[cod]
+*$py.class
+
+# C extensions
+*.so
+
+# Distribution / packaging
+.Python
+env/
+build/
+develop-eggs/
+dist/
+downloads/
+eggs/
+.eggs/
+lib/
+lib64/
+parts/
+sdist/
+var/
+venv/
+*.egg-info/
+.installed.cfg
+*.egg
+bin/
+temp/
+tags/
+errors.err
+
+# PyInstaller
+#  Usually these files are written by a python script from a template
+#  before PyInstaller builds the exe, so as to inject date/other infos into it.
+*.manifest
+*.spec
+
+# Installer logs
+pip-log.txt
+pip-delete-this-directory.txt
+MANIFEST
+
+# Unit test / coverage reports
+htmlcov/
+.tox/
+.coverage
+.coverage.*
+.cache
+nosetests.xml
+coverage.xml
+*,cover
+.hypothesis/
+
+# Translations
+*.mo
+*.pot
+
+# Mr Developer
+.mr.developer.cfg
+.project
+.pydevproject
+
+# Django stuff:
+*.log
+
+# Sphinx documentation
+docs/build/
+docs/source/generated/
+
+# pytest
+.pytest_cache/
+
+# PyBuilder
+target/
+
+# Editor files
+# mac
+.DS_Store
+*~
+
+# vim
+*.swp
+*.swo
+
+# pycharm
+.idea/
+
+# VSCode
+.vscode/
+
+# Ipython Notebook
+.ipynb_checkpoints
+
+# version information
+setup.cfg
+/src/{{ cookiecutter.github_org }}/*/version.cfg
+
+# Rever
+rever/

.pre-commit-config.yaml

@@ -0,0 +1,47 @@
+default_language_version:
+    python: python3
+ci:
+    autofix_commit_msg: |
+        [pre-commit.ci] auto fixes from pre-commit hooks
+    autofix_prs: true
+    autoupdate_branch: 'pre-commit-autoupdate'
+    autoupdate_commit_msg: '[pre-commit.ci] pre-commit autoupdate'
+    autoupdate_schedule: monthly
+    skip: [no-commit-to-branch]
+    submodules: false
+repos:
+  - repo: https://github.com/pre-commit/pre-commit-hooks
+    rev: v4.6.0
+    hooks:
+      - id: check-yaml
+        exclude: '.github/'
+      - id: end-of-file-fixer
+      - id: trailing-whitespace
+      - id: check-case-conflict
+      - id: check-merge-conflict
+      - id: check-toml
+      - id: check-added-large-files
+  - repo: https://github.com/psf/black
+    rev: 24.4.2
+    hooks:
+      - id: black
+  - repo: https://github.com/pycqa/flake8
+    rev: 7.0.0
+    hooks:
+      - id: flake8
+  - repo: https://github.com/pycqa/isort
+    rev: 5.13.2
+    hooks:
+      - id: isort
+        args: ["--profile", "black"]
+  - repo: https://github.com/kynan/nbstripout
+    rev: 0.7.1
+    hooks:
+      - id: nbstripout
+  - repo: https://github.com/pre-commit/pre-commit-hooks
+    rev: v4.4.0
+    hooks:
+      - id: no-commit-to-branch
+        name: Prevent Commit to Main Branch
+        args: ["--branch", "main"]
+        stages: [pre-commit]

auto_api.py

@@ -1,10 +1,10 @@
 #!/usr/bin/env python
 
-from pathlib import Path
 import optparse
-import re
+import shlex
 import subprocess
 import sys
+from pathlib import Path
 
 
 def call(cmd, cwd, capture_output=False):
@@ -20,16 +20,16 @@ def __init__(self, prog_name, *args, **kwargs):
             super(Parser, self).__init__(*args, **kwargs)
             self.prog_name = prog_name
 
-    def detailed_error(self, msg):
-        self.exit(2, f"{prog_name}: error: {msg}\n")
-
-    parser = Parser(prog_name=prog_name_short,
-        usage='\n'.join([
-            "%prog <package_name> <path_to_package_proper> <path_to_api_directory>",
-            "Automatically populate the API directory for a package.",
-            "This only handles packages with single-depth submodules.",
-        ]),
-        epilog="Please report bugs on https://github.com/Billingegroup/release-scripts/issues."
+    parser = Parser(
+        prog_name=prog_name_short,
+        usage="\n".join(
+            [
+                "%prog <package_name> <path_to_package_proper> <path_to_api_directory>",
+                "Automatically populate the API directory for a package.",
+                "This only handles packages with single-depth submodules.",
+            ]
+        ),
+        epilog="Please report bugs on https://github.com/Billingegroup/release-scripts/issues.",
     )
 
     return parser
@@ -50,17 +50,17 @@ def main(opts, pargs):
 
     # Populate API directory
     def gen_package_files(package_dir, package_name):
-        """ Generate package files.
-        
+        """Generate package files.
+
         Parameters
         ----------
-        
+
         package_dir: Path
             The package directory (e.g. /src/diffpy/pdfmorph).
         package_name: str
             The name of the package (e.g. diffpy.pdfmorph).
         """
-        eq_spacing = "="*len(f"{package_name} package")
+        eq_spacing = "=" * len(f"{package_name} package")
         s = f""":tocdepth: -1
 
 {package_name} package
@@ -96,15 +96,19 @@ def gen_package_files(package_dir, package_name):
         sm_names = []
         skip_files = ["__init__", "version"]
         for child in package_dir.iterdir():
-            if child.is_file() and child.suffix == ".py" and child.stem not in skip_files:
+            if (
+                child.is_file()
+                and child.suffix == ".py"
+                and child.stem not in skip_files
+            ):
                 sm_names.append(f"{package_name}.{child.stem}")
         if len(sm_names) > 0:
             s += """
 Submodules
 ----------
 """
         for sm_name in sm_names:
-            dsh_spacing = "^"*len(f"{sm_name} module")
+            dsh_spacing = "^" * len(f"{sm_name} module")
             s += f"""
 {sm_name} module
 {dsh_spacing}
@@ -114,7 +118,7 @@ def gen_package_files(package_dir, package_name):
     :undoc-members:
     :show-inheritance:
 """
-        
+
         s += "\n"
         package_file = api_dir / f"{package_name}.rst"
         with open(package_file, "w") as pfile:

basic_release.sh

@@ -48,7 +48,7 @@ mkdir "$tmp_release_dir"
 project_path="$(pwd)"
 project="${project_path##*/}"
 tgz_name="$project-$version.tar.gz"
-tar --exclude="./$tmp_release_dir" -zcf "./$tmp_release_dir/$tgz_name" . 
+tar --exclude="./$tmp_release_dir" -zcf "./$tmp_release_dir/$tgz_name" .
 
 # GitHub Release
 git tag $version $(git rev-parse HEAD)