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Bump phonopy to apply fix for NumPy 2 in Windows (#4227)
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* install phonopy from git repo dev branch

* unskip failing tests

* remove python < 3.10 check

* bump phonopy to test windows np2 fix
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DanielYang59 authored Dec 31, 2024
1 parent 3be22d0 commit 1abc459
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Showing 3 changed files with 1 addition and 18 deletions.
2 changes: 1 addition & 1 deletion pyproject.toml
Original file line number Diff line number Diff line change
Expand Up @@ -107,7 +107,7 @@ optional = [
"hiphive>=1.3.1",
"jarvis-tools>=2020.7.14",
"matplotlib>=3.8",
"phonopy>=2.23",
"phonopy>=2.33.3",
"seekpath>=2.0.1",
]
# tblite only support Python 3.12+ through conda-forge
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9 changes: 0 additions & 9 deletions tests/io/test_phonopy.py
Original file line number Diff line number Diff line change
@@ -1,7 +1,6 @@
from __future__ import annotations

import os
import platform
from pathlib import Path
from unittest import TestCase

Expand Down Expand Up @@ -124,10 +123,6 @@ def test_structure_conversion(self):
assert struct_pmg_round_trip.site_properties["magmom"] == struct_pmg.site_properties["magmom"]


@pytest.mark.skipif(
platform.system() == "Windows" and int(np.__version__[0]) >= 2,
reason="cannot run NP2 on windows, see PR 4224",
)
@pytest.mark.skipif(Phonopy is None, reason="Phonopy not present")
class TestGetDisplacedStructures(PymatgenTest):
def test_get_displaced_structures(self):
Expand Down Expand Up @@ -160,10 +155,6 @@ def test_get_displaced_structures(self):
assert os.path.isfile("test.yaml")


@pytest.mark.skipif(
platform.system() == "Windows" and int(np.__version__[0]) >= 2,
reason="cannot run NP2 on windows, see PR 4224",
)
@pytest.mark.skipif(Phonopy is None, reason="Phonopy not present")
class TestPhonopyFromForceConstants(TestCase):
def setUp(self) -> None:
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8 changes: 0 additions & 8 deletions tests/util/test_typing.py
Original file line number Diff line number Diff line change
Expand Up @@ -2,13 +2,10 @@

from __future__ import annotations

import sys
from pathlib import Path
from types import GenericAlias
from typing import TYPE_CHECKING, get_args

import pytest

from pymatgen.core import Composition, DummySpecies, Element, Species
from pymatgen.entries import Entry
from pymatgen.util.typing import CompositionLike, EntryLike, PathLike, PbcLike, SpeciesLike
Expand All @@ -20,8 +17,6 @@
__date__ = "2022-10-20"
__email__ = "janosh@lbl.gov"

skip_below_py310 = pytest.mark.skipif(sys.version_info < (3, 10), reason="requires python 3.10 or higher")


def _type_str(some_type: Any) -> str:
return str(some_type).replace("typing.", "").replace("pymatgen.core.periodic_table.", "")
Expand All @@ -48,15 +43,13 @@ def test_entry_like():
assert Entry.__name__ in str(EntryLike)


@skip_below_py310
def test_species_like():
assert isinstance("H", SpeciesLike)
assert isinstance(Element("H"), SpeciesLike)
assert isinstance(Species("H+"), SpeciesLike)
assert isinstance(DummySpecies("X"), SpeciesLike)


@skip_below_py310
def test_composition_like():
assert isinstance("H", CompositionLike)
assert isinstance(Element("H"), CompositionLike)
Expand All @@ -71,7 +64,6 @@ def test_pbc_like():
assert get_args(PbcLike) == (bool, bool, bool)


@skip_below_py310
def test_pathlike():
assert isinstance("path/to/file", PathLike)
assert isinstance(Path("path/to/file"), PathLike)
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