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Defining SimulationWorkflow, SinglePoint, BeyondDFT and DFTPlusTB workflows #120

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Defining SimulationWorkflow, SinglePoint, BeyondDFT and DFTPlusTB workflows #120

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JosePizarro3
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@JosePizarro3 JosePizarro3 commented Sep 18, 2024 •
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I also moved the testing files to subfolders to mimic the src structure.

TODO:

  • Add testing for SinglePoint
  • Add testing for DFTPlusTB

@JosePizarro3 JosePizarro3 self-assigned this Sep 18, 2024
@JosePizarro3 JosePizarro3 linked an issue Sep 18, 2024 that may be closed by this pull request
Moving simulation workflow definitions to this repo #100
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@JosePizarro3 JosePizarro3 force-pushed the 100-moving-simulation-workflow-definitions-to-this-repo branch from 07748d5 to 5059c3c Compare September 18, 2024 10:29
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coveralls commented Sep 18, 2024 •
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Pull Request Test Coverage Report for Build 10942053017

Details

  • 147 of 185 (79.46%) changed or added relevant lines in 4 files are covered.
  • No unchanged relevant lines lost coverage.
  • Overall coverage increased (+0.02%) to 80.324%
Changes Missing Coverage Covered Lines Changed/Added Lines %
src/nomad_simulations/schema_packages/workflow/base_workflows.py 64 67 95.52%
src/nomad_simulations/schema_packages/workflow/single_point.py 41 44 93.18%
src/nomad_simulations/schema_packages/workflow/dft_plus_tb.py 39 71 54.93%
Totals Coverage Status
Change from base Build 10917123646: 0.02%
Covered Lines: 2180
Relevant Lines: 2714
💛 - Coveralls

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Closed in favor of #121

@JosePizarro3 JosePizarro3 mentioned this pull request Sep 20, 2024
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Moving simulation workflow definitions to this repo
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