Test with aiida-core=2.6.1 and python 3.11

.github/workflows/ci.yml

@@ -20,9 +20,8 @@ jobs:
 
         strategy:
             matrix:
-                tag: [latest]
-                python-version: ['3.9', '3.10']
-                aiida-core-version: [2.3, 2.5]
+                python-version: ['3.9', '3.11']
+                aiida-core-version: ['2.3', '2.6']
             fail-fast: false
 
         runs-on: ubuntu-latest
@@ -45,15 +44,13 @@ jobs:
                   python-version: ${{ matrix.python-version }}
 
             - name: Install uv
-              run: curl --proto '=https' --tlsv1.2 -LsSf https://github.com/astral-sh/uv/releases/download/0.2.13/uv-installer.sh | sh
+              run: curl --proto '=https' --tlsv1.2 -LsSf https://github.com/astral-sh/uv/releases/download/0.2.28/uv-installer.sh | sh
 
             - name: Install package
               run: uv pip install --system -e .[dev] aiida-core==${{ matrix.aiida-core-version }}
 
             - name: Run pytest
-              run: pytest -v tests --cov=aiidalab_qe
-              env:
-                  TAG: ${{ matrix.tag }}
+              run: pytest -v tests ${{ matrix.aiida-core-version == '2.3' && '--cov=aiidalab_qe' || '' }}
 
             - name: Upload coverage reports to Codecov
               uses: codecov/codecov-action@v4

Dockerfile

@@ -1,5 +1,5 @@
 # syntax=docker/dockerfile:1
-ARG FULL_STACK_VER=2024.1021
+ARG FULL_STACK_VER=pr-474
 ARG UV_VER=0.2.27
 ARG QE_VER=7.2
 ARG QE_DIR=/opt/conda/envs/quantum-espresso-${QE_VER}

README.md

@@ -61,9 +61,9 @@ Additional notes:
 ## Acknowledgements
 We acknowledge support from:
 * the European Union\'s Horizon 2020 research and innovation programme (Grant No. 957189, [project BIG-MAP](https://www.big-map.eu)).
-* the [MARVEL National Centre for Competency in Research](<http://nccr-marvel.ch>) funded by the [Swiss National Science Foundation](<http://www.snf.ch/en>).
+* the [MARVEL National Centre for Competency in Research](https://nccr-marvel.ch/) funded by the [Swiss National Science Foundation](https://www.snf.ch/en).
 * the MARKETPLACE project funded by [Horizon 2020](https://ec.europa.eu/programmes/horizon2020/) under the H2020-NMBP-25-2017 call (Grant No. 760173).
-* the [MaX European Centre of Excellence](<http://www.max-centre.eu/>) funded by the Horizon 2020 EINFRA-5 program (Grant No. 676598).
+* the [MaX European Centre of Excellence](https://www.max-centre.eu/) funded by the Horizon 2020 EINFRA-5 program (Grant No. 676598).
 
 <div style="text-align:left">
  <img src="miscellaneous/logos/MARVEL.png" alt="MARVEL" height="75px">

pyproject.toml

@@ -4,3 +4,14 @@ requires = [
     "wheel"
 ]
 build-backend = "setuptools.build_meta"
+
+[tool.pytest.ini_options]
+addopts = '--strict-config --strict-markers --durations=30 --durations-min=1 -ra'
+filterwarnings = [
+    'ignore:Object of type .* not in session, .* operation along .* will not proceed:',
+    'ignore:Creating AiiDA configuration:UserWarning:',
+    'ignore:metadata.*traitlets.traitlets.Unicode object:DeprecationWarning:',
+    # For some reason we get this error, see
+    # https://github.com/aiidalab/aiidalab-widgets-base/issues/551
+    'ignore:Exception ignored in:pytest.PytestUnraisableExceptionWarning:_pytest',
+]

setup.cfg

@@ -40,7 +40,7 @@ where = src
 dev =
     bumpver~=2023.1124
     pre-commit~=3.2
-    pytest~=6.2
+    pytest~=7.4
     pytest-regressions~=2.2
     pgtest==1.3.1
     pytest-cov~=4.0