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spglib attr updates #943
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spglib attr updates #943
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spglib
is a regular, not a build time dep. add it here
Line 65 in 8e99cf6
"pymatgen >= 2023", |
@janosh my bad, fixed! |
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thanks a lot @esoteric-ephemera! 👍
@esoteric-ephemera unfortunately it's installing 2.4 in CI, not 2.5 because of
need to update (or delete) those files as well |
some tests are genuinely failing, apparently due to a discontinued/moved superconductivity2018 website. don't look that important, i think we can _______________ MatminerDatasetsTest.test_superconductivity2018 ________________
self = <matminer.datasets.tests.test_datasets.MatminerDatasetsTest testMethod=test_superconductivity2018>
def test_superconductivity2018(self):
object_headers = ["composition"]
numeric_headers = ["Tc"]
> self.universal_dataset_check("superconductivity2018", object_headers, numeric_headers)
matminer/datasets/tests/test_datasets.py:643:
_ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _
matminer/datasets/tests/test_datasets.py:[79](https://github.com/hackingmaterials/matminer/actions/runs/10530585976/job/29182138461?pr=943#step:8:80): in universal_dataset_check
self.assertTrue(download_page.ok)
E AssertionError: False is not true |
Really weird - the tests all pass on my side, and for 3.10 (also manually checked the download links). Added the option to repeat trying the connection a few times in the test to see if any pass |
in case you want to to exclude
|
Simple changes to accommodate updates to spglib's
get_symmetry_dataset
method in 2.5.0, which requires dot-access rather than dict-key access. Also pins the minimum version of spglib to account for this change.