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bump optional dep pin abinit = ["netcdf4>=1.7.1"]
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temp install delvewheel>=1.7.4 in CI
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janosh committed Aug 8, 2024
1 parent 17b325f commit 1dfc9e4
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5 changes: 3 additions & 2 deletions .github/workflows/test.yml
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Expand Up @@ -35,11 +35,11 @@ jobs:
resolution: highest
extras: ci,optional
- os: ubuntu-latest
python: '>3.9'
python: ">3.9"
resolution: lowest-direct
extras: ci,optional
- os: macos-latest
python: '3.10'
python: "3.10"
resolution: lowest-direct
extras: ci # test with only required dependencies installed

Expand Down Expand Up @@ -79,6 +79,7 @@ jobs:
# track https://github.com/astral-sh/uv/issues/1921 for resolution
pip install torch --upgrade
uv pip install "delvewheel>=1.7.4" # TODO remove following new netcdf4 release, currently on 1.7.1
uv pip install numpy cython
uv pip install --editable '.[${{ matrix.config.extras }}]' --resolution=${{ matrix.config.resolution }}
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2 changes: 1 addition & 1 deletion pyproject.toml
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Expand Up @@ -90,7 +90,7 @@ ase = ["ase>=3.23.0"]
# don't depend on tblite above 3.11 since unsupported https://github.com/tblite/tblite/issues/175
tblite = ["tblite[ase]>=0.3.0; python_version<'3.12'"]
vis = ["vtk>=6.0.0"]
abinit = ["netcdf4>=1.6.5"]
abinit = ["netcdf4>=1.7.1"]
mlp = ["chgnet>=0.3.8", "matgl>=1.1.1"]
electronic_structure = ["fdint>=2.0.2"]
ci = ["pytest-cov>=4", "pytest-split>=0.8", "pytest>=8"]
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