🔧 Update Python support: drop v3.8 and add v3.12

Since we now effectively only support `aiida-core` v2.5 and above - which has dropped Python 3.8 support - we can also drop Python 3.8 support. At the same time, we add support for Python version 3.12. The latest Python version 3.13 cannot be supported yet since there is not support for it in `aiida-core`. Finally, the compatibility matrix in the `README.md` is updated to reflect these changes.
t-reents · Jan 22, 2025 · 172540b · 172540b
1 parent 1c8a804
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diff --git a/.github/workflows/cd.yml b/.github/workflows/cd.yml
@@ -16,10 +16,10 @@ jobs:
         -   name: Checkout source
             uses: actions/checkout@v2
 
-        -   name: Set up Python 3.8
+        -   name: Set up Python 3.9
             uses: actions/setup-python@v2
             with:
-                python-version: '3.8'
+                python-version: '3.9'
 
         -   name: Validate the tag version against the package version
             run: python .github/workflows/validate_release_tag.py $GITHUB_REF
@@ -43,7 +43,7 @@ jobs:
         -   name: Set up Python
             uses: actions/setup-python@v2
             with:
-                python-version: '3.8'
+                python-version: '3.9'
 
         -   name: Install Python dependencies
             run: pip install -e .[pre-commit,tests]
@@ -58,7 +58,7 @@ jobs:
 
         strategy:
             matrix:
-                python-version: ['3.8', '3.9', '3.10', '3.11']
+                python-version: ['3.9', '3.10', '3.11', '3.12']
 
         services:
             postgres:
@@ -100,10 +100,10 @@ jobs:
         -   name: Checkout source
             uses: actions/checkout@v2
 
-        -   name: Set up Python 3.8
+        -   name: Set up Python 3.9
             uses: actions/setup-python@v2
             with:
-                python-version: '3.8'
+                python-version: '3.9'
 
         -   name: Install flit
             run: pip install flit~=3.4

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
@@ -22,7 +22,7 @@ jobs:
         -   name: Set up Python
             uses: actions/setup-python@v2
             with:
-                python-version: '3.8'
+                python-version: '3.9'
 
         -   name: Install Python dependencies
             run: pip install -e .[pre-commit,tests]
@@ -36,7 +36,7 @@ jobs:
 
         strategy:
             matrix:
-                python-version: ['3.8', '3.9', '3.10', '3.11']
+                python-version: ['3.9', '3.10', '3.11', '3.12']
 
         services:
             postgres:

diff --git a/.github/workflows/nightly.yml b/.github/workflows/nightly.yml
@@ -20,7 +20,7 @@ jobs:
 
         strategy:
             matrix:
-                python-version: ['3.9', '3.10', '3.11']
+                python-version: ['3.9', '3.10', '3.11', '3.12']
 
         services:
             postgres:

diff --git a/README.md b/README.md
@@ -12,10 +12,10 @@ The matrix below assumes the user always install the latest patch release of the
 
 | Plugin | AiiDA | Python | Quantum ESPRESSO |
 |-|-|-|-|
-| `v4.8 < v5.0` | ![Compatibility for v4.0][AiiDA v4.0-pydantic2] |  [![PyPI pyversions](https://img.shields.io/pypi/pyversions/aiida-quantumespresso.svg)](https://pypi.org/project/aiida-quantumespresso) | ![Quantum ESPRESSO compatibility][QE v6.6-7.4] |
-| `v4.5 < v4.8` | ![Compatibility for v4.0][AiiDA v4.0-pydantic2] |  [![PyPI pyversions](https://img.shields.io/pypi/pyversions/aiida-quantumespresso.svg)](https://pypi.org/project/aiida-quantumespresso) | ![Quantum ESPRESSO compatibility][QE v6.6-7.3] |
-| `v4.3 < v4.5` | ![Compatibility for v4.0][AiiDA v4.0] |  [![PyPI pyversions](https://img.shields.io/pypi/pyversions/aiida-quantumespresso.svg)](https://pypi.org/project/aiida-quantumespresso) | ![Quantum ESPRESSO compatibility][QE v6.6-7.3] |
-| `v4.0 < v4.3` | ![Compatibility for v4.0][AiiDA v4.0] |  [![PyPI pyversions](https://img.shields.io/pypi/pyversions/aiida-quantumespresso.svg)](https://pypi.org/project/aiida-quantumespresso) | ![Quantum ESPRESSO compatibility][QE v6.6-7.1] |
+| `v4.8 < v5.0` | ![Compatibility for v4.0][AiiDA v4.0-pydantic2] |  [![PyPI pyversions][Python v3.9-v3.12]](https://pypi.org/project/aiida-quantumespresso/4.8.0/) | ![Quantum ESPRESSO compatibility][QE v6.6-7.4] |
+| `v4.5 < v4.8` | ![Compatibility for v4.0][AiiDA v4.0-pydantic2] |  [![PyPI pyversions][Python v3.8-v3.11]](https://pypi.org/project/aiida-quantumespresso/4.5.0/) | ![Quantum ESPRESSO compatibility][QE v6.6-7.3] |
+| `v4.3 < v4.5` | ![Compatibility for v4.0][AiiDA v4.0] |  [![PyPI pyversions][Python v3.8-v3.11]](https://pypi.org/project/aiida-quantumespresso/4.3.0/) | ![Quantum ESPRESSO compatibility][QE v6.6-7.3] |
+| `v4.0 < v4.3` | ![Compatibility for v4.0][AiiDA v4.0] |  [![PyPI pyversions][Python v3.8-v3.11]](https://pypi.org/project/aiida-quantumespresso/4.0.0/) | ![Quantum ESPRESSO compatibility][QE v6.6-7.1] |
 | `v3.5 < v4.0` | ![Compatibility for v3.5][AiiDA v3.5] |  [![PyPI pyversions][Python v3.6-v3.9]](https://pypi.org/project/aiida-quantumespresso/3.5.2/) | ![Quantum ESPRESSO compatibility][QE v6-7] |
 | `v3.4 < v3.5` | ![Compatibility for v3.4][AiiDA v3.4] |  [![PyPI pyversions][Python v3.6-v3.9]](https://pypi.org/project/aiida-quantumespresso/3.4.2/) | ![Quantum ESPRESSO compatibility][QE v6] |
 | `v3.3 < v3.4` | ![Compatibility for v3.3][AiiDA v3.3] |  [![PyPI pyversions][Python v3.6-v3.8]](https://pypi.org/project/aiida-quantumespresso/3.3.1/) | ![Quantum ESPRESSO compatibility][QE v6] |
@@ -141,6 +141,8 @@ We acknowledge support from:
 [AiiDA v3.0]: https://img.shields.io/badge/AiiDA->=1.0.0,<1.1.0-007ec6.svg?logo=data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAACMAAAAhCAYAAABTERJSAAAABHNCSVQICAgIfAhkiAAAAAlwSFlzAAAFhgAABYYBG6Yz4AAAABl0RVh0U29mdHdhcmUAd3d3Lmlua3NjYXBlLm9yZ5vuPBoAAAUbSURBVFiFzZhrbFRVEMd%2Fc%2B5uu6UUbIFC%2FUAUVEQCLbQJBIiBDyiImJiIhmohYNCkqJAQxASLF8tDgYRHBLXRhIcKNtFEhVDgAxBJqgmVh4JEKg3EIn2QYqBlt917xg%2BFss%2ByaDHOtzsz5z%2B%2FuZl7ztmF%2F5HJvxVQN6cPYX8%2FPLnOmsvNAvqfwuib%2FbNIk9cQeQnLcKRL5xLIV%2Fic9eJeunjPYbRs4FjQSpTB3aS1IpRKeeOOewajy%2FKKEO8Q0DuVdKy8IqsbPulxGHUfCBBu%2BwUYGuFuBTK7wQnht6PEbf4tlRomVRjCbXNjQEB0AyrFQOL5ENIJm7dTLZE6DPJCnEtFZVXDLny%2B4Sjv0PmmYu1ZdUek9RiMgoDmJ8V0L7XJqsZ3UW8YsBOwEeHeeFce7jEYXBy0m9m4BbXqSj2%2Bxnkg26MCVrN6DEZcwggtd8pTFx%2Fh3B9B50YLaFOPwXQKUt0tBLegtSomfBlfY13PwijbEnhztGzgJsK5h9W9qeWwBqjvyhB2iBs1Qz0AU974DciRGO8CVN8AJhAeMAdA3KbrKEtvxhsI%2B9emWiJlGBEU680Cfk%2BSsVqXZvcFYGXjF8ABVJ%2BTNfVXehyms1zzn1gmIOxLEB6E31%2FWBe5rnCarmo7elf7dJEeaLh80GasliI5F6Q9cAz1GY1OJVNDxTzQTw7iY%2FHEZRQY7xqJ9RU2LFe%2FYqakdP911ha0XhjjiTVAkDwgatWfCGeYocx8M3glG8g8EXhSrLrHnEFJ5Ymow%2FkhIYv6ttYUW1iFmEqqxdVoUs9FmsDYSqmtmJh3Cl1%2BVtl2s7owDUdocR5bceiyoSivGTT5vzpbzL1uoBpmcAAQgW7ArnKD9ng9rc%2BNgrobSNwpSkkhcRN%2BvmXLjIsDovYHHEfmsYFygPAnIDEQrQPzJYCOaLHLUfIt7Oq0LJn9fxkSgNCb1qEIQ5UKgT%2Fs6gJmVOOroJhQBXVqw118QtWLdyUxEP45sUpSzqP7RDdFYMyB9UReMiF1MzPwoUqHt8hjGFFeP5wZAbZ%2F0%2BcAtAAcji6LeSq%2FMYiAvSsdw3GtrfVSVFUBbIhwRWYR7yOcr%2FBi%2FB1MSJZ16JlgH1AGM3EO2QnmMyrSbTSiACgFBv4yCUapZkt9qwWVL7aeOyHvArJjm8%2Fz9BhdI4XcZgz2%2FvRALosjsk1ODOyMcJn9%2FYI6IrkS5vxMGdUwou2YKfyVqJpn5t9aNs3gbQMbdbkxnGdsr4bTHm2AxWo9yNZK4PXR3uzhAh%2BM0AZejnCrGdy0UvJxl0oMKgWSLR%2B1LH2aE9ViejiFs%2BXn6bTjng3MlIhJ1I1TkuLdg6OcAbD7Xx%2Bc3y9TrWAiSHqVkbZ2v9ilCo6s4AjwZCzFyD9mOL305nV9aonvsQeT2L0gVk4OwOJqXXVRW7naaxswDKVdlYLyMXAnntteYmws2xcVVZzq%2BtHPAooQggmJkc6TLSusOiL4RKgwzzYU1iFQgiUBA1H7E8yPau%2BZl9P7AblVNebtHqTgxLfRqrNvZWjsHZFuqMqKcDWdlFjF7UGvX8Jn24DyEAykJwNcdg0OvJ4p5pQ9tV6SMlP4A0PNh8aYze1ArROyUNTNouy8tNF3Rt0CSXb6bRFl4%2FIfQzNMjaE9WwpYOWQnOdEF%2BTdJNO0iFh7%2BI0kfORzQZb6P2kymS9oTxzBiM9rUqLWr1WE5G6ODhycQd%2FUnNVeMbcH68hYkGycNoUNWc8fxaxfwhDbHpfwM5oeTY7rUX8QAAAABJRU5ErkJggg%3D%3D
 [AiiDA v2.0]: https://img.shields.io/badge/AiiDA->=0.12,<1.0.0-007ec6.svg?logo=data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAACMAAAAhCAYAAABTERJSAAAABHNCSVQICAgIfAhkiAAAAAlwSFlzAAAFhgAABYYBG6Yz4AAAABl0RVh0U29mdHdhcmUAd3d3Lmlua3NjYXBlLm9yZ5vuPBoAAAUbSURBVFiFzZhrbFRVEMd%2Fc%2B5uu6UUbIFC%2FUAUVEQCLbQJBIiBDyiImJiIhmohYNCkqJAQxASLF8tDgYRHBLXRhIcKNtFEhVDgAxBJqgmVh4JEKg3EIn2QYqBlt917xg%2BFss%2ByaDHOtzsz5z%2B%2FuZl7ztmF%2F5HJvxVQN6cPYX8%2FPLnOmsvNAvqfwuib%2FbNIk9cQeQnLcKRL5xLIV%2Fic9eJeunjPYbRs4FjQSpTB3aS1IpRKeeOOewajy%2FKKEO8Q0DuVdKy8IqsbPulxGHUfCBBu%2BwUYGuFuBTK7wQnht6PEbf4tlRomVRjCbXNjQEB0AyrFQOL5ENIJm7dTLZE6DPJCnEtFZVXDLny%2B4Sjv0PmmYu1ZdUek9RiMgoDmJ8V0L7XJqsZ3UW8YsBOwEeHeeFce7jEYXBy0m9m4BbXqSj2%2Bxnkg26MCVrN6DEZcwggtd8pTFx%2Fh3B9B50YLaFOPwXQKUt0tBLegtSomfBlfY13PwijbEnhztGzgJsK5h9W9qeWwBqjvyhB2iBs1Qz0AU974DciRGO8CVN8AJhAeMAdA3KbrKEtvxhsI%2B9emWiJlGBEU680Cfk%2BSsVqXZvcFYGXjF8ABVJ%2BTNfVXehyms1zzn1gmIOxLEB6E31%2FWBe5rnCarmo7elf7dJEeaLh80GasliI5F6Q9cAz1GY1OJVNDxTzQTw7iY%2FHEZRQY7xqJ9RU2LFe%2FYqakdP911ha0XhjjiTVAkDwgatWfCGeYocx8M3glG8g8EXhSrLrHnEFJ5Ymow%2FkhIYv6ttYUW1iFmEqqxdVoUs9FmsDYSqmtmJh3Cl1%2BVtl2s7owDUdocR5bceiyoSivGTT5vzpbzL1uoBpmcAAQgW7ArnKD9ng9rc%2BNgrobSNwpSkkhcRN%2BvmXLjIsDovYHHEfmsYFygPAnIDEQrQPzJYCOaLHLUfIt7Oq0LJn9fxkSgNCb1qEIQ5UKgT%2Fs6gJmVOOroJhQBXVqw118QtWLdyUxEP45sUpSzqP7RDdFYMyB9UReMiF1MzPwoUqHt8hjGFFeP5wZAbZ%2F0%2BcAtAAcji6LeSq%2FMYiAvSsdw3GtrfVSVFUBbIhwRWYR7yOcr%2FBi%2FB1MSJZ16JlgH1AGM3EO2QnmMyrSbTSiACgFBv4yCUapZkt9qwWVL7aeOyHvArJjm8%2Fz9BhdI4XcZgz2%2FvRALosjsk1ODOyMcJn9%2FYI6IrkS5vxMGdUwou2YKfyVqJpn5t9aNs3gbQMbdbkxnGdsr4bTHm2AxWo9yNZK4PXR3uzhAh%2BM0AZejnCrGdy0UvJxl0oMKgWSLR%2B1LH2aE9ViejiFs%2BXn6bTjng3MlIhJ1I1TkuLdg6OcAbD7Xx%2Bc3y9TrWAiSHqVkbZ2v9ilCo6s4AjwZCzFyD9mOL305nV9aonvsQeT2L0gVk4OwOJqXXVRW7naaxswDKVdlYLyMXAnntteYmws2xcVVZzq%2BtHPAooQggmJkc6TLSusOiL4RKgwzzYU1iFQgiUBA1H7E8yPau%2BZl9P7AblVNebtHqTgxLfRqrNvZWjsHZFuqMqKcDWdlFjF7UGvX8Jn24DyEAykJwNcdg0OvJ4p5pQ9tV6SMlP4A0PNh8aYze1ArROyUNTNouy8tNF3Rt0CSXb6bRFl4%2FIfQzNMjaE9WwpYOWQnOdEF%2BTdJNO0iFh7%2BI0kfORzQZb6P2kymS9oTxzBiM9rUqLWr1WE5G6ODhycQd%2FUnNVeMbcH68hYkGycNoUNWc8fxaxfwhDbHpfwM5oeTY7rUX8QAAAABJRU5ErkJggg%3D%3D
 
+[Python v3.9-v3.12]: https://img.shields.io/badge/python-3.9%20%7C%203.10%20%7C%203.11%20%7C%203.12-blue
+[Python v3.8-v3.11]: https://img.shields.io/badge/python-3.8%20%7C%203.9%20%7C%203.10%20%7C%203.11-blue
 [Python v3.6-v3.9]: https://img.shields.io/badge/python-3.6%20%7C%203.7%20%7C%203.8%20%7C%203.9-blue
 [Python v3.6-v3.8]: https://img.shields.io/badge/python-3.6%20%7C%203.7%20%7C%203.8-blue
 [Python v3.5-v3.8]: https://img.shields.io/badge/python-3.5%20%7C%203.6%20%7C%203.7%20%7C%203.8-blue

diff --git a/docs/source/conf.py b/docs/source/conf.py
@@ -48,7 +48,7 @@
 
 # Setting the intersphinx mapping to other readthedocs
 intersphinx_mapping = {
-    'python': ('https://docs.python.org/3.8', None),
+    'python': ('https://docs.python.org/3.9', None),
     'aiida': ('https://aiida.readthedocs.io/projects/aiida-core/en/latest/', None),
     'aiida_pseudo': ('http://aiida-pseudo.readthedocs.io/en/latest/', None),
     'pymatgen': ('https://pymatgen.org/', None),

diff --git a/pyproject.toml b/pyproject.toml
@@ -14,13 +14,13 @@ classifiers = [
     'Framework :: AiiDA',
     'License :: OSI Approved :: MIT License',
     'Programming Language :: Python',
-    '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',
 ]
 keywords = ['aiida', 'workflows']
-requires-python = '>=3.8'
+requires-python = '>=3.9'
 dependencies = [
     'aiida_core[atomic_tools]~=2.3',
     'aiida-pseudo~=1.1',