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fix: address remaining review comments on PR #167
- Remove _memory_scales_with attribute (generic statement not needed) - Remove pytest tool options from pyproject.toml - Remove torchsim-docs tox environment (docs don't exist)
1 parent c4710c1 commit ee46038

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python/metatomic_torchsim/metatomic_torchsim/_model.py

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@@ -152,7 +152,7 @@ def __init__(
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self._model = model.to(device=self._device)
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self._compute_forces = compute_forces
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self._compute_stress = compute_stress
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self._memory_scales_with = "n_atoms_x_density"
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self._requested_neighbor_lists = self._model.requested_neighbor_lists()
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self._evaluation_options = ModelEvaluationOptions(

python/metatomic_torchsim/pyproject.toml

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@@ -66,13 +66,3 @@ packages = ["metatomic_torchsim"]
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### ======================================================================== ###
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[tool.pytest.ini_options]
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python_files = ["*.py"]
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testpaths = ["tests"]
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filterwarnings = [
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"error",
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"ignore:`torch.jit.script` is deprecated. Please switch to `torch.compile` or `torch.export`:DeprecationWarning",
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"ignore:`torch.jit.save` is deprecated. Please switch to `torch.export`:DeprecationWarning",
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"ignore:`torch.jit.load` is deprecated. Please switch to `torch.export`:DeprecationWarning",
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"ignore:.*vesin.metatomic was only tested with metatomic.torch >=0.1.3,<0.2.*:UserWarning",
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]

tox.ini

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@@ -208,21 +208,6 @@ commands =
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pytest --cov={env_site_packages_dir}/metatomic --cov-report= --import-mode=append {posargs}
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[testenv:torchsim-docs]
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description = Build the metatomic-torchsim documentation
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package = skip
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deps =
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shibuya
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sphinx >=9
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sphinx-autoapi >=3.6
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myst-parser
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{toxinidir}/python/metatomic_torchsim
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commands =
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sphinx-build -W -b html \
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{toxinidir}/python/metatomic_torchsim/docs \
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{toxinidir}/python/metatomic_torchsim/docs/_build
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[testenv:docs-tests]
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description = Run the doctests defined in any metatomic package

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