Release/1.7.0

.github/workflows/update_changelog.py

@@ -0,0 +1,90 @@
+#!/bin/bash
+"""Script for automatically updating the `CHANGELOG.md` based on the commits since the latest release tag."""
+import re
+import subprocess
+from pathlib import Path
+
+DEFAULT_CHANGELOG_SECTIONS = """
+### ‼️ Breaking changes
+
+
+### ✨ New features
+
+
+### 🗑️ Deprecations
+
+
+### 👌 Improvements
+
+
+### 🐛 Bug fixes
+
+
+### 📚 Documentation
+
+
+### 🔧 Maintenance
+
+
+### ⬆️ Update dependencies
+
+
+### 🧪 Tests
+
+
+### ♻️ Refactor
+
+"""
+
+
+def update_changelog():
+    """Update the `CHANGELOG.md` for a first draft of the release."""
+
+    print('🔍 Checking the current version number')
+    current_changelog = Path('CHANGELOG.md').read_text(encoding='utf-8')
+
+    from aiida_pseudo import __version__
+
+    if str(__version__) in current_changelog:
+        print('🛑 Current version already in `CHANGELOG.md`. Skipping...')
+        return
+
+    print('⬆️ Found updated version number, adapting `CHANGELOG.md`.')
+    tags = subprocess.run(['git', 'tag', '--sort=v:refname'], capture_output=True, check=True, encoding='utf-8').stdout
+    latest_tag = re.findall(r'(v\d\.\d\.\d)\n', tags)[-1]
+
+    print(f'🔄 Comparing with latest tag `{latest_tag}`.')
+    commits = subprocess.run(
+        ['git', 'log', "--pretty=format:'%h|%H|%s'", f'{latest_tag}..origin/main'],
+        capture_output=True,
+        check=True,
+        encoding='utf-8',
+    ).stdout
+
+    pr_pattern = re.compile(r'\(\S(?P<pr_number>\d+)\)')
+
+    changelog_message = f'## v{__version__}\n' + DEFAULT_CHANGELOG_SECTIONS
+
+    for commit in commits.splitlines():
+        hash_short, hash_long, message = commit.strip("'").split('|', maxsplit=2)
+
+        # Remove the PR number from the commit message
+        pr_match = pr_pattern.search(message)
+
+        if pr_match is not None:
+            pr_number = pr_match.groupdict()['pr_number']
+            message = message.replace(rf'(#{pr_number})', '')
+
+        # Add the commit hash (short) to link to the changelog
+        message += f' [[{hash_short}](https://github.com/aiidateam/aiida-pseudo/commit/{hash_long})]'
+        changelog_message += f'\n* {message}'
+
+    with Path('CHANGELOG.md').open('w', encoding='utf8') as handle:
+        new_changelog = current_changelog.replace('# Change log', f'# Change log\n\n{changelog_message}')
+        handle.write(new_changelog)
+
+    print("🚀 Success! Finalise the `CHANGELOG.md` and let's get this baby released.")
+
+
+if __name__ == '__main__':
+    update_changelog()

CHANGELOG.md

@@ -1,5 +1,20 @@
 # Change log
 
+## `1.7.0` - 2025-01-13
+
+### ✨ New features
+
+* Add support for `StructureData from `aiida-atomistic` [[9b29ae7](https://github.com/aiidateam/aiida-pseudo/commit/9b29ae7ca95222b46f89d5909fedeb009cb021e9)]
+
+### 👌 Improvements
+
+* Bypass the certificate check for pseudo dojo.  [[ac84418](https://github.com/aiidateam/aiida-pseudo/commit/ac84418d3fe28415d0535856ecbaa551962ccf86)]
+
+### 🔧 Maintenance
+
+* Add path to sphinx `conf.py` to RTD configuration [[27e9e10](https://github.com/aiidateam/aiida-pseudo/commit/27e9e10794ec50741f53e1eb0b2aa3fbe33ed1d6)]
+* Pin requirement `sphinx-autoapi~=3.3.3` [[36c4e6f](https://github.com/aiidateam/aiida-pseudo/commit/36c4e6fb9a754de400ac6ca8a16f97d1e25f5494)]
+
 ## `1.6.0` - 2024-11-04
 
 ### Dependencies

src/aiida_pseudo/__init__.py

@@ -1,2 +1,2 @@
 """AiiDA plugin that simplifies working with pseudo potentials."""
-__version__ = '1.6.0'
+__version__ = '1.7.0'