Drop py38

.github/workflows/cd_release.yml

@@ -23,10 +23,10 @@ jobs:
       with:
         fetch-depth: 0
 
-    - name: Set up Python 3.8
+    - name: Set up Python 3.9
       uses: actions/setup-python@v4
       with:
-        python-version: 3.8
+        python-version: 3.9
 
     - name: Install Python dependencies
       run: |

.github/workflows/ci_automerge_dependabot.yml

@@ -30,10 +30,10 @@ jobs:
         ref: ${{ github.event.pull_request.head.ref }}
         persist-credentials: false
 
-    - name: Setup Python 3.8
+    - name: Setup Python 3.9
       uses: actions/setup-python@v4
       with:
-        python-version: 3.8
+        python-version: 3.9
 
     - name: Install Python dependencies
       run: |

.github/workflows/ci_dependabot.yml

@@ -25,10 +25,10 @@ jobs:
       with:
         ref: ${{ env.DEFAULT_REPO_BRANCH }}
 
-    - name: Set up Python 3.8
+    - name: Set up Python 3.9
       uses: actions/setup-python@v4
       with:
-        python-version: 3.8
+        python-version: 3.9
 
     - name: Install `pre-commit`
       run: |

.github/workflows/ci_tests.yml

@@ -17,10 +17,10 @@ jobs:
     steps:
     - uses: actions/checkout@v4
 
-    - name: Set up Python 3.8
+    - name: Set up Python 3.9
       uses: actions/setup-python@v4
       with:
-        python-version: 3.8
+        python-version: 3.9
 
     - name: Install dependencies
       run: |
@@ -45,7 +45,7 @@ jobs:
     strategy:
       fail-fast: false
       matrix:
-        python-version: ['3.8', '3.9', '3.10']
+        python-version: ['3.9', '3.10', '3.11']
 
     services:
       mongo:
@@ -105,14 +105,14 @@ jobs:
       run: pytest -v --cov=./aiida_optimade/ --cov-report=xml:mongo_cov.xml --durations=20
 
     - name: Upload coverage to Codecov
-      if: matrix.python-version == 3.8
+      if: matrix.python-version == 3.9
       uses: codecov/codecov-action@v3
       with:
         flags: aiida
         file: ./coverage.xml
 
     - name: Upload coverage to Codecov
-      if: matrix.python-version == 3.8
+      if: matrix.python-version == 3.9
       uses: codecov/codecov-action@v3
       with:
         flags: mongo
@@ -148,10 +148,10 @@ jobs:
     steps:
     - uses: actions/checkout@v4
 
-    - name: Set up Python 3.8
+    - name: Set up Python 3.9
       uses: actions/setup-python@v4
       with:
-        python-version: 3.8
+        python-version: 3.9
 
     - name: Install python dependencies
       run: |
@@ -223,10 +223,10 @@ jobs:
     steps:
     - uses: actions/checkout@v4
 
-    - name: Set up Python 3.8
+    - name: Set up Python 3.9
       uses: actions/setup-python@v4
       with:
-        python-version: 3.8
+        python-version: 3.9
 
     - name: Install python dependencies
       run: |
@@ -292,10 +292,10 @@ jobs:
     steps:
     - uses: actions/checkout@v4
 
-    - name: Set up Python 3.8
+    - name: Set up Python 3.9
       uses: actions/setup-python@v4
       with:
-        python-version: 3.8
+        python-version: 3.9
 
     - name: Install python dependencies
       run: |

README.md

@@ -4,7 +4,8 @@ The compatibility matrix below assumes the user always install the latest patch
 
 | Plugin | AiiDA | Python | Specification |
 |-|-|-|-|
-| `v1.0 < v2.0` | ![Compatibility for v1.0][AiiDA v2 range] |  [![PyPI pyversions](https://img.shields.io/pypi/pyversions/aiida-optimade)](https://pypi.org/project/aiida-optimade) | ![OPTIMADE API compatibility][OPTIMADE from OPT] |
+| `v1.2 < v2.0` | ![Compatibility for v1.0][AiiDA v2 py311 range] |  [![PyPI pyversions](https://img.shields.io/pypi/pyversions/aiida-optimade)](https://pypi.org/project/aiida-optimade) | ![OPTIMADE API compatibility][OPTIMADE from OPT] |
+| `v1.0 < v1.2` | ![Compatibility for v1.0][AiiDA v2 py38 range] |  [![PyPI pyversions][Python v3.8-v3.10]](https://pypi.org/project/aiida-optimade/1.1.1/) | ![OPTIMADE API compatibility][OPTIMADE from OPT] |
 | `v0.18 <= v0.20` | ![Compatibility for v0][AiiDA v1 range] |  [![PyPI pyversions][Python v3.7-v3.9]](https://pypi.org/project/aiida-optimade/0.20.0/) | ![OPTIMADE API compatibility][OPTIMADE from OPT] |
 
 | Latest release | Build status | Activity |
@@ -171,10 +172,15 @@ The release action will be triggered by newly created release.
 Note, the tag should start with a `v` and be followed by a full semantic version (see [SemVer](https://semver.org)).
 For example: `v2.3.12`.
 
-[AiiDA v2 range]: https://img.shields.io/badge/AiiDA->=2.0.0,<3.0.0-007ec6.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
+[AiiDA v2 py311 range]: https://img.shields.io/badge/AiiDA->=2.2.0,<3.0.0-007ec6.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
+
+[AiiDA v2 py38 range]: https://img.shields.io/badge/AiiDA->=2.0.0,<2.4.0-007ec6.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 v1 range]: https://img.shields.io/badge/AiiDA->=1.6.0,<2.0.0-007ec6.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 v3.8-v3.10]: https://img.shields.io/badge/python-3.8%20%7C%203.9%20%7C%203.10-blue
+
 [Python v3.7-v3.9]: https://img.shields.io/badge/python-3.7%20%7C%203.8%20%7C%203.9-blue
 
 [OPTIMADE from OPT]: https://img.shields.io/endpoint?url=https://raw.githubusercontent.com/Materials-Consortia/optimade-python-tools/v0.24.1/optimade-version.json

aiida_optimade/cli/cmd_init.py

@@ -9,7 +9,8 @@
 from aiida_optimade.common.logger import LOGGER, disable_logging
 
 if TYPE_CHECKING:  # pragma: no cover
-    from typing import IO, Generator, Iterator, List, Union
+    from collections.abc import Generator, Iterator
+    from typing import IO, List, Union
 
     from aiida.common.extendeddicts import AttributeDict
 
@@ -153,7 +154,7 @@ def init(obj: "AttributeDict", force: bool, silent: bool, mongo: bool, filename:
                     "consider using --force to first drop the collection, if possible."
                 )
 
-            with open(filename, "r") as handle:
+            with open(filename) as handle:
                 if silent:
                     all_chunks = read_chunks(handle, chunk_size=chunk_size)
                 else:

aiida_optimade/entry_collections.py

@@ -1,5 +1,5 @@
 import warnings
-from typing import Any, Dict, List, Optional, Set, Tuple, Union
+from typing import Any, Optional, Union
 
 from aiida.orm import Group
 from aiida.orm.nodes import Node
@@ -31,7 +31,7 @@ class AiidaCollection(EntryCollection):
 
     def __init__(
         self,
-        entities: Union[str, List[str]],
+        entities: Union[str, list[str]],
         group: Optional[str],
         resource_cls: EntryResource,
         resource_mapper: ResourceMapper,
@@ -48,15 +48,15 @@ def __init__(
         # "Cache"
         self._data_available: int = None
         self._data_returned: int = None
-        self._extras_fields: Set[str] = None
-        self._latest_filter: Dict[str, Any] = None
-        self._count: Dict[str, Any] = None
+        self._extras_fields: set[str] = None
+        self._latest_filter: dict[str, Any] = None
+        self._count: dict[str, Any] = None
         self._checked_extras_filter_fields: set = set()
 
-        self._all_fields: Set[str] = None
+        self._all_fields: set[str] = None
 
     @property
-    def all_fields(self) -> Set[str]:
+    def all_fields(self) -> set[str]:
         if not self._all_fields:
             self._all_fields = super().all_fields
         return self._all_fields
@@ -114,7 +114,7 @@ def _clear_cache(self) -> None:
     def __len__(self) -> int:
         return self.data_available
 
-    def insert(self, _: List[EntryResource]) -> None:
+    def insert(self, _: list[EntryResource]) -> None:
         raise NotImplementedError(
             f"The insert method is not implemented for {self.__class__.__name__}."
         )
@@ -175,8 +175,8 @@ def count(self, **kwargs) -> int:
 
     def find(  # pylint: disable=too-many-branches
         self, params: Union[EntryListingQueryParams, SingleEntryQueryParams]
-    ) -> Tuple[
-        Union[List[EntryResource], EntryResource, None], int, bool, Set[str], Set[str]
+    ) -> tuple[
+        Union[list[EntryResource], EntryResource, None], int, bool, set[str], set[str]
     ]:
         self.set_data_available()
 
@@ -266,8 +266,8 @@ def find(  # pylint: disable=too-many-branches
         )
 
     def _run_db_query(
-        self, criteria: Dict[str, Any], single_entry: bool = False
-    ) -> Tuple[List[Dict[str, Any]], bool]:
+        self, criteria: dict[str, Any], single_entry: bool = False
+    ) -> tuple[list[dict[str, Any]], bool]:
         """Run the query on the backend and collect the results.
 
         Arguments:
@@ -296,7 +296,7 @@ def _run_db_query(
 
     @staticmethod
     def _prepare_query(
-        node_types: List[str], group: Optional[str] = None, **kwargs
+        node_types: list[str], group: Optional[str] = None, **kwargs
     ) -> QueryBuilder:
         """Workhorse function to prepare an AiiDA QueryBuilder query"""
         for key in kwargs:
@@ -344,7 +344,7 @@ def _perform_count(self, **kwargs) -> int:
 
     def handle_query_params(
         self, params: Union[EntryListingQueryParams, SingleEntryQueryParams]
-    ) -> Dict[str, Any]:
+    ) -> dict[str, Any]:
         """Parse and interpret the backend-agnostic query parameter models into a
         dictionary that can be used by AiiDA's QueryBuilder.
 
@@ -385,7 +385,7 @@ def handle_query_params(
 
         return cursor_kwargs
 
-    def parse_sort_params(self, sort_params: str) -> List[Dict[str, Dict[str, str]]]:
+    def parse_sort_params(self, sort_params: str) -> list[dict[str, dict[str, str]]]:
         """Handles any sort parameters passed to the collection,
         resolving aliases and dealing with any invalid fields.
 
@@ -473,8 +473,8 @@ def __filter_fields_util(  # pylint: disable=unused-private-member
         __filter_fields_util(deepcopy(filters))
 
     def _check_and_calculate_entities(
-        self, cli: bool = False, entries: List[List[int]] = None
-    ) -> List[int]:
+        self, cli: bool = False, entries: list[list[int]] = None
+    ) -> list[int]:
         """Check all entities have OPTIMADE extras, else calculate them
 
         For a bit of optimization, we only care about a field if it has specifically
@@ -490,7 +490,7 @@ def _check_and_calculate_entities(
 
         """
 
-        def _update_entities(entities: List[List[Any]], fields: List[str]):
+        def _update_entities(entities: list[list[Any]], fields: list[str]):
             """Utility function to update entities within this method"""
             optimade_fields = [
                 self.resource_mapper.get_optimade_field(_) for _ in fields

aiida_optimade/mappers/entries.py

@@ -1,5 +1,5 @@
 # pylint: disable=arguments-differ
-from typing import Any, Dict, Set, Tuple
+from typing import Any
 
 from optimade.server.mappers import BaseResourceMapper as OptimadeResourceMapper
 
@@ -13,9 +13,9 @@ class ResourceMapper(OptimadeResourceMapper):
 
     PROJECT_PREFIX: str = "extras.optimade."
 
-    TRANSLATORS: Dict[str, AiidaEntityTranslator]
-    REQUIRED_ATTRIBUTES: Set[str] = set()
-    TOP_LEVEL_NON_ATTRIBUTES_FIELDS: Set[str] = {
+    TRANSLATORS: dict[str, AiidaEntityTranslator]
+    REQUIRED_ATTRIBUTES: set[str] = set()
+    TOP_LEVEL_NON_ATTRIBUTES_FIELDS: set[str] = {
         "id",
         "type",
         "relationships",
@@ -24,11 +24,11 @@ class ResourceMapper(OptimadeResourceMapper):
     }
 
     @classmethod
-    def all_aliases(cls) -> Tuple[Tuple[str, str]]:
+    def all_aliases(cls) -> tuple[tuple[str, str]]:
         """Get all aliases as a tuple
         Also add `PROJECT_PREFIX` fields to the tuple
         """
-        res = super(ResourceMapper, cls).all_aliases()
+        res = super().all_aliases()
         return res + tuple(
             (field, f"{cls.PROJECT_PREFIX}{field}")
             for field in set(cls.ENTRY_RESOURCE_ATTRIBUTES.keys())
@@ -37,7 +37,7 @@ def all_aliases(cls) -> Tuple[Tuple[str, str]]:
         )
 
     @classmethod
-    def map_back(cls, entity_properties: Dict[str, Any]) -> dict:
+    def map_back(cls, entity_properties: dict[str, Any]) -> dict:
         """Map properties from AiiDA to OPTIMADE
 
         Parameters:

aiida_optimade/mappers/structures.py

@@ -1,5 +1,4 @@
 import warnings
-from typing import Dict
 
 from optimade.server.config import CONFIG, SupportedBackend
 
@@ -19,7 +18,7 @@
 class StructureMapper(ResourceMapper):
     """Map 'structure' resources from OPTIMADE to AiiDA"""
 
-    TRANSLATORS: Dict[str, AiidaEntityTranslator] = {
+    TRANSLATORS: dict[str, AiidaEntityTranslator] = {
         "data.core.cif.CifData.": CifDataTranslator,
         "data.core.structure.StructureData.": StructureDataTranslator,
     }