diff --git a/.github/workflows/update_changelog.py b/.github/workflows/update_changelog.py index 71799a8..9479f44 100644 --- a/.github/workflows/update_changelog.py +++ b/.github/workflows/update_changelog.py @@ -40,7 +40,7 @@ def update_changelog(): print('🔍 Checking the current version number') current_changelog = Path('CHANGELOG.md').read_text(encoding='utf-8') - from aiida_quantumespresso import __version__ + from aiida_vibroscopy import __version__ if str(__version__) in current_changelog: print('🛑 Current version already in `CHANGELOG.md`. Skipping...') diff --git a/CHANGELOG.md b/CHANGELOG.md index 522e9c0..0df42a4 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -1,3 +1,32 @@ +## v1.1.1 + +This minor release adds the new AiiDA contributor license agreement (CLA), and its GitHub bot, +along with some dependency contraints for phonopy. The latest versions of phonopy (>v2.26) +break the tests. While figuring out why, we patch this until a solution is found. + +### 🐛 Bug fixes + +* Deps: constrain phonopy and spglib versions [[3a3e3d1](https://github.com/aiidateam/aiida-quantumespresso/commit/3a3e3d117e34c6a66fcdc74e1e21c6263c203565)] + +### 📚 Documentation + +* Fix some docstrings and reports [[3ee9e7c](https://github.com/aiidateam/aiida-quantumespresso/commit/3ee9e7cbd2f5e6b8f15229dafbed58ae7ef4fa0d)] +* Update main paper reference[[504c1b7](https://github.com/aiidateam/aiida-quantumespresso/commit/504c1b7b65a8852395d0ff3ec7271cb8c05c6931)] + +### 🔧 Maintenance + +* CLA: update and remove old cla-bot [[32bd829](https://github.com/aiidateam/aiida-quantumespresso/commit/32bd829987751deba056b7bfa739f6c82cf89d3e)] +* @bastonero has signed the CLA in bastonero/aiida-vibroscopy#78[[e83739f](https://github.com/aiidateam/aiida-quantumespresso/commit/e83739f6aaecfcb304f8cac3da6d54b93f0fafb7)] +* Add the AiiDA CLA [[df2cade](https://github.com/aiidateam/aiida-quantumespresso/commit/df2cade1bf200b8a2dd7004a48e40b118257f134)] +* Add CLA bot [[3ba3e9e](https://github.com/aiidateam/aiida-quantumespresso/commit/3ba3e9e9f094106254b1a8ee4c97b85e66b41f85)] + +### ⬆️ Update dependencies + +* Deps: constrain phonopy and spglib versions [[3a3e3d1](https://github.com/aiidateam/aiida-quantumespresso/commit/3a3e3d117e34c6a66fcdc74e1e21c6263c203565)] + + + + ## v1.1.0 This minor release includes new post-processing utilities, a small breaking change in [[42503f3]](https://github.com/bastonero/aiida-vibroscopy/commit/42503f312d9a812cfc46d4c4a03a78641201e1d3) with regards to reference system for non-analytical and polarization directions. Some examples providing diff --git a/pyproject.toml b/pyproject.toml index 56542ad..f81eeee 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -21,6 +21,7 @@ classifiers = [ 'Programming Language :: Python :: 3.9', 'Programming Language :: Python :: 3.10', 'Programming Language :: Python :: 3.11', + 'Programming Language :: Python :: 3.12', ] keywords = ['aiida', 'workflows'] requires-python = '>=3.8' diff --git a/src/aiida_vibroscopy/__init__.py b/src/aiida_vibroscopy/__init__.py index 8b2ff6c..1579648 100644 --- a/src/aiida_vibroscopy/__init__.py +++ b/src/aiida_vibroscopy/__init__.py @@ -7,4 +7,4 @@ # For further information on the license, see the LICENSE.txt file # ################################################################################# """AiiDA plugin for vibrational spectoscopy using Quantum ESPRESSO.""" -__version__ = '1.1.0' +__version__ = '1.1.1'