diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index 24b61d90aac..787646784a9 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -66,26 +66,38 @@ jobs: run: | sudo cp cmd_line/gulp/Linux_64bit/* /usr/local/bin/ + - name: Install pymatgen and mandatory testing dependencies only + run: | + micromamba activate pmg + + uv pip install -e '.[dev]' + + - name: pytest split ${{ matrix.split }} + run: | + micromamba activate pmg + pytest --splits 10 --group ${{ matrix.split }} --durations-path tests/files/.pytest-split-durations tests + - name: Install ubuntu-only conda dependencies if: matrix.os == 'ubuntu-latest' run: | micromamba install -n pmg -c conda-forge enumlib packmol bader openbabel openff-toolkit --yes - - name: Install pymatgen and dependencies + - name: Install all optional dependencies with workarounds run: | - micromamba activate pmg - # TODO remove temporary fix. added since uv install torch is flaky. - # track https://github.com/astral-sh/uv/issues/1921 for resolution - pip install torch + micromamba activate pmg - uv pip install numpy cython + # TODO remove temporary fix. added since uv install torch is flaky. + # track https://github.com/astral-sh/uv/issues/1921 for resolution + pip install torch - uv pip install --editable '.[dev,optional]' + uv pip install numpy cython - # TODO remove next line installing ase from main branch when FrechetCellFilter is released - uv pip install --upgrade 'git+https://gitlab.com/ase/ase' + uv pip install --editable '.[dev,optional]' - - name: pytest split ${{ matrix.split }} + # TODO remove next line installing ase from main branch when FrechetCellFilter is released + uv pip install --upgrade 'git+https://gitlab.com/ase/ase' + + - name: Optional deps - pytest split ${{ matrix.split }} run: | micromamba activate pmg pytest --splits 10 --group ${{ matrix.split }} --durations-path tests/files/.pytest-split-durations tests