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feat: integrate molli-frontend + mmli-backend #59

Merged
merged 10 commits into from
Oct 7, 2024
Merged

feat: integrate molli-frontend + mmli-backend #59

merged 10 commits into from
Oct 7, 2024

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bodom0015
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@bodom0015 bodom0015 commented Sep 6, 2024 •
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Problem

mmli-job-manager no longer sends notification email upon success or failure of CLEAN/MOLLI jobs

Approach

  • feat: integrate molli-frontend + mmli-backend
    • replaces the legacy mmli-job-manager with the new backend mmli-backend

How to Test

Must be tested with moleculemaker/mmli-backend#61

  1. Navigate to https://molli.frontend.staging.mmli1.ncsa.illinois.edu/configuration
  2. Download & unzip MOLLI-input-files.zip
  3. Upload CORES File: BOX_cores_test_1.cdxml
  4. Upload SUBS File: BOX_substituents_test_1.cdxml
  5. Click on "Get the MOLLI result"
  6. Wait for job to complete
    • You should see the results page load and displays visualizations from your current job

@bodom0015 bodom0015 mentioned this pull request Sep 6, 2024
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chasing311
chasing311 approved these changes Sep 12, 2024
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Looks good to me

@bodom0015 bodom0015 mentioned this pull request Sep 18, 2024
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@bodom0015 bodom0015 merged commit 34314a4 into main Oct 7, 2024
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@chasing311 chasing311 chasing311 approved these changes

@matthewberry matthewberry Awaiting requested review from matthewberry

@David-Bianchi David-Bianchi Awaiting requested review from David-Bianchi

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@bodom0015 @chasing311