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Clean up var names in unit tests, avoid MP API access in GitHub workflow #207

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merged 17 commits into from
Sep 29, 2024
Merged

Clean up var names in unit tests, avoid MP API access in GitHub workflow #207

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70bd23e
clean up test var names
DanielYang59 Sep 25, 2024
38cbe70
clean up test var names
DanielYang59 Sep 25, 2024
2b33510
try to debug mp api key
DanielYang59 Sep 27, 2024
799011f
hope getting api key at runtime works
DanielYang59 Sep 27, 2024
f45022f
insert debug tag
DanielYang59 Sep 27, 2024
77ba1a5
also check for empty maybe?
DanielYang59 Sep 27, 2024
b4aee41
trigger workflow again
DanielYang59 Sep 27, 2024
95fbb6b
Merge remote-tracking branch 'upstream/main' into interactive-unit-test
DanielYang59 Sep 28, 2024
18821d1
Merge branch 'interactive-unit-test' of github.com:DanielYang59/pymat…
DanielYang59 Sep 28, 2024
95614f2
add cached file if not in GH actions
DanielYang59 Sep 29, 2024
336efaf
remove MP API KEY from github workflow env
DanielYang59 Sep 29, 2024
1f11e0b
structure dir -> structures
DanielYang59 Sep 29, 2024
47efb0b
Merge remote-tracking branch 'upstream/main' into interactive-unit-test
DanielYang59 Sep 29, 2024
bdcb0e6
i have never seen such things where pre-commit is run on code that do…
DanielYang59 Sep 29, 2024
bdee291
add more descriptive error msg
DanielYang59 Sep 29, 2024
f37298a
only fetch if not exist, and check CI, save as json.gz
DanielYang59 Sep 29, 2024
cc3e39e
thanks Janosh!
DanielYang59 Sep 29, 2024
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3 changes: 3 additions & 0 deletions examples/make_assets/structure_viz.py
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Expand Up @@ -30,6 +30,9 @@


# %% Plot some disordered structures in 2D
if os.environ.get("MP_API_KEY") is None:
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raise RuntimeError("no mp api key, debugging")

disordered_structs = {
mp_id: MPRester(api_key=os.environ.get("MP_API_KEY")).get_structure_by_material_id(
mp_id, conventional_unit_cell=True
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