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Bump tables version and use py314 for highest tests #486

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Bump tables version and use py314 for highest tests #486

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f0508b9
maint: bump tables version and py version for highest tests
CompRhys Mar 2, 2026
72337ef
bumpy bump
CompRhys Mar 3, 2026
4bd618b
Merge remote-tracking branch 'origin/main' into py314-tables
CompRhys Mar 3, 2026
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18 changes: 4 additions & 14 deletions .github/workflows/test.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -20,8 +20,8 @@ jobs:
version:
- { python: '3.12', resolution: highest }
- { python: '3.12', resolution: lowest-direct }
- { python: '3.13', resolution: highest }
- { python: '3.13', resolution: lowest-direct }
- { python: '3.14', resolution: highest }
- { python: '3.14', resolution: lowest-direct }
runs-on: ${{ matrix.os }}

steps:
Expand All @@ -39,12 +39,7 @@ jobs:
- name: Install torch_sim
run: |
uv pip install "torch>2" --index-url https://download.pytorch.org/whl/cpu --system
# always use numpy>=2 with Python 3.13
if [ "${{ matrix.version.python }}" = "3.13" ]; then
uv pip install -e ".[test]" "numpy>=2" --resolution=${{ matrix.version.resolution }} --system
else
uv pip install -e ".[test]" --resolution=${{ matrix.version.resolution }} --system
fi
uv pip install -e ".[test]" --resolution=${{ matrix.version.resolution }} --system

- name: Run core tests
run: |
Expand Down Expand Up @@ -150,12 +145,7 @@ jobs:
run: |
# setuptools <82 provides pkg_resources needed by mattersim and fairchem (via torchtnt).
# setuptools 82+ removed pkg_resources. Remove pin once those packages migrate.
# always use numpy>=2 with Python 3.13
if [ "${{ matrix.version.python }}" = "3.13" ]; then
uv pip install -e ".[test,${{ matrix.model.name }}]" "numpy>=2" "setuptools>=70,<82" --resolution=${{ matrix.version.resolution }} --system
else
uv pip install -e ".[test,${{ matrix.model.name }}]" "setuptools>=70,<82" --resolution=${{ matrix.version.resolution }} --system
fi
uv pip install -e ".[test,${{ matrix.model.name }}]" "setuptools>=70,<82" --resolution=${{ matrix.version.resolution }} --system

- name: Run ${{ matrix.model.test_path }} tests
if: ${{ !contains(matrix.model.name, 'fairchem') || github.event.pull_request.head.repo.fork == false }}
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7 changes: 4 additions & 3 deletions pyproject.toml
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Expand Up @@ -27,10 +27,11 @@ classifiers = [
]
requires-python = ">=3.12"
dependencies = [
"h5py>=3.12.1",
"numpy>=1.26,<3",
"h5py>=3.15",
"numpy>=1.26,<3; python_version < '3.13'",
"numpy>=2.3.2,<3; python_version >= '3.13'",
"nvalchemi-toolkit-ops>=0.2.0",
"tables>=3.10.2,<3.11",
"tables>=3.11.1",
"torch>=2",
"tqdm>=4.67",
]
Expand Down
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