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Autoscaling support in alchemiscale - #424

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ianmkenney merged 63 commits into
OpenFreeEnergy:mainfrom
ianmkenney:autoscaling
Sep 16, 2025
Merged

Autoscaling support in alchemiscale#424
ianmkenney merged 63 commits into
OpenFreeEnergy:mainfrom
ianmkenney:autoscaling

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@ianmkenney ianmkenney self-assigned this Jul 16, 2025
@codecov

codecov Bot commented Jul 16, 2025

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Codecov Report

❌ Patch coverage is 78.59238% with 73 lines in your changes missing coverage. Please review.
✅ Project coverage is 80.14%. Comparing base (92389ac) to head (207ae1e).
⚠️ Report is 19 commits behind head on main.

Files with missing lines Patch % Lines
alchemiscale/compute/api.py 21.31% 48 Missing ⚠️
alchemiscale/compute/manager.py 87.87% 12 Missing ⚠️
alchemiscale/storage/statestore.py 89.88% 9 Missing ⚠️
alchemiscale/compute/client.py 92.85% 2 Missing ⚠️
alchemiscale/storage/models.py 96.42% 2 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##             main     #424      +/-   ##
==========================================
- Coverage   80.48%   80.14%   -0.34%     
==========================================
  Files          27       28       +1     
  Lines        3894     4226     +332     
==========================================
+ Hits         3134     3387     +253     
- Misses        760      839      +79     

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@dotsdl dotsdl linked an issue Aug 5, 2025 that may be closed by this pull request

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Looking great @ianmkenney! I've reviewed the implementation in detail; please address the comments. I'll be reviewing the test suite additions and the docs in a separate review.

Comment thread alchemiscale/storage/models.py Outdated
Comment thread alchemiscale/storage/models.py Outdated
Comment thread alchemiscale/storage/models.py Outdated
Comment thread alchemiscale/compute/api.py Outdated
Comment thread alchemiscale/compute/api.py Outdated
Comment thread alchemiscale/compute/manager.py Outdated
Comment thread alchemiscale/compute/client.py
Comment thread alchemiscale/compute/client.py Outdated
Comment thread alchemiscale/compute/client.py Outdated
Comment thread alchemiscale/compute/api.py Outdated
@ianmkenney
ianmkenney requested a review from dotsdl September 12, 2025 18:20
Comment thread alchemiscale/compute/client.py Outdated
@dotsdl

dotsdl commented Sep 16, 2025

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Looks excellent @ianmkenney! Can you add a news item?

After that, please merge when satisfied!

@ianmkenney
ianmkenney merged commit b769b3f into OpenFreeEnergy:main Sep 16, 2025
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Successfully merging this pull request may close these issues.

Add compute API methods to enable autoscaling of compute services

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