From 5d911e4a1464e8da547e33dfa8a4ba11e8b1136f Mon Sep 17 00:00:00 2001 From: Marnik Bercx Date: Fri, 29 Nov 2024 14:36:48 +0100 Subject: [PATCH] =?UTF-8?q?=F0=9F=9A=80=20Release=20`v4.7.0`?= MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit --- CHANGELOG.md | 25 +++++++++++++++++++++++++ src/aiida_quantumespresso/__init__.py | 2 +- 2 files changed, 26 insertions(+), 1 deletion(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 4e0d10726..874ef4698 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -1,3 +1,28 @@ +## v4.7.0 + +### ✨ New features + +* Add `nbands_factor` logic into PdosWorkChain [[1020b02](https://github.com/aiidateam/aiida-quantumespresso/commit/1020b02c76bd3ae9783087bdf5f796380a7fdf3b)] +* ✨ `PwParser`: Add the XML schema for Quantum ESPRESSO v7.3.1 [[57e7463](https://github.com/aiidateam/aiida-quantumespresso/commit/57e7463c5727775d6a0470a41d1aca0ec4083b9a)] +* `XspectraCrystalWorkChain`: Enable Symmetry Data Inputs [[b79189d](https://github.com/aiidateam/aiida-quantumespresso/commit/b79189d7ce4756e846ab39c567ba4681474741ed)] +* Add calcjob, parser and base workchain plugin for `bands.x` [[651fd01](https://github.com/aiidateam/aiida-quantumespresso/commit/651fd0142a965ca1b03cc52f0f2f8d960936a1cd)] + +### 👌 Improvements + +* `PpCalculation`: Make parsing of output files optional [[bc0d815](https://github.com/aiidateam/aiida-quantumespresso/commit/bc0d8156f3f206b76e15f0f0c0742d8b579b4722)] + +### 🐛 Bug fixes + +* CLI: Fix bug in `aiida-quantumespresso workflow launc pw-base` [[ea76d9b](https://github.com/aiidateam/aiida-quantumespresso/commit/ea76d9b37f78315bbf93f93fa56460c7dfe0652a)] + +### 📚 Documentation + +* Docs: Fix build by pinning `sphinx-autoapi~=3.0.0` [[91c3e1d](https://github.com/aiidateam/aiida-quantumespresso/commit/91c3e1d35939491663a697d201dcccdf90c076c6)] + +### ♻️ Refactor + +* `get_xspectra_structures`: Refactor and Improve Code [[210c40b](https://github.com/aiidateam/aiida-quantumespresso/commit/210c40bbc3445f55155bbb855d320afa00fa347e)] + ## v4.6.0 This minor release provides several improvements and bug fixes, mostly related to the `HubbardStructureData` and XPS/XAS calculations. diff --git a/src/aiida_quantumespresso/__init__.py b/src/aiida_quantumespresso/__init__.py index 6adb902b0..bc198334b 100644 --- a/src/aiida_quantumespresso/__init__.py +++ b/src/aiida_quantumespresso/__init__.py @@ -1,3 +1,3 @@ # -*- coding: utf-8 -*- """The official AiiDA plugin for Quantum ESPRESSO.""" -__version__ = '4.6.0' +__version__ = '4.7.0'