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build against NPY2#3894

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janosh merged 30 commits intomaterialsproject:mastermaterialsproject/pymatgen:masterfrom njzjz:build-npy2njzjz/pymatgen:build-npy2Copy head branch name to clipboardAug 8, 2024

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Commits on Jun 24, 2024

• build against NPY2

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Commits on Jun 25, 2024

• replace np.int_t with np.int64_t

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• replace np.float_ with np.float64

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• replace simps with simpson

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• replace long with np.int64_t

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• fix copy=False

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• fix simpson

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• asarray

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• RankWarning

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• pre-commit auto-fixes

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• ImportError

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• replace np.lib.pad with np.pad

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Commits on Aug 5, 2024

• Merge remote-tracking branch 'origin/master' into build-npy2

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• enable NPY201

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• skip several tests related to scipy, chgnet, and phonopy

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• skip more tests

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• make warning assertion more robust

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Commits on Aug 6, 2024

• fix test_properties

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• Revert "enable NPY201"

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• rename vars for readability

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• fix test_get_parchg with comment to explain assert inversion

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• don't depend on numpy RC in build-system.requires

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• disable assert altogether

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Commits on Aug 8, 2024

• bump optional dep pin abinit = ["netcdf4>=1.7.1"]

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• Merge branch 'master' into build-npy2

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• merge

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• remove delvewheel

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