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Fix use of PatchedPhaseDiagram in ThermoBuilder #566

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merged 6 commits into from Oct 22, 2022

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@munrojm munrojm commented Oct 22, 2022

Ensures base phase diagram always gets built when using PatchedPhaseDiagram in ThermoBuilder.

@munrojm munrojm added the release:patch Patch updates label Oct 22, 2022
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codecov-commenter commented Oct 22, 2022

Codecov Report

Base: 97.33% // Head: 92.33% // Decreases project coverage by -5.00% ⚠️

Coverage data is based on head (7faec93) compared to base (f79b390).
Patch has no changes to coverable lines.

Additional details and impacted files
@@            Coverage Diff             @@
##             main     #566      +/-   ##
==========================================
- Coverage   97.33%   92.33%   -5.01%     
==========================================
  Files         131       60      -71     
  Lines       24435     3364   -21071     
==========================================
- Hits        23785     3106   -20679     
+ Misses        650      258     -392     
Impacted Files Coverage Δ
emmet-core/emmet/core/thermo.py
emmet-core/emmet/core/vasp/calc_types/__init__.py
emmet-core/emmet/core/synthesis/reaction.py
emmet-core/emmet/core/molecules/orbitals.py
emmet-core/emmet/core/oxidation_states.py
emmet-core/emmet/core/electronic_structure.py
emmet-core/emmet/core/synthesis/core.py
emmet-core/emmet/core/spectrum.py
emmet-core/emmet/core/vasp/calc_types/utils.py
emmet-core/emmet/core/qchem/calc_types/enums.py
... and 61 more

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@munrojm munrojm merged commit d564566 into main Oct 22, 2022
@@ -8,9 +8,9 @@
setup(
name="emmet-api",
use_scm_version={
"root": ".",
"root": "..",
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This basically reverts #565

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Yes, I had to revert as the git information wasn't properly being accessed by setuptools when root is set to .

I will try and find another solution, but in the mean time this change needed to happen so our deployment pipelines don't break.

@munrojm munrojm deleted the bugfix/thermo_patched_pd branch January 23, 2023 20:04
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3 participants