matensemble 0.4.0__tar.gz → 0.4.2__tar.gz

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (44) hide show
  1. {matensemble-0.4.0 → matensemble-0.4.2}/PKG-INFO +1 -1
  2. {matensemble-0.4.0 → matensemble-0.4.2}/pyproject.toml +5 -1
  3. {matensemble-0.4.0 → matensemble-0.4.2}/src/matensemble/dynopro/ensemble.py +1 -1
  4. {matensemble-0.4.0 → matensemble-0.4.2}/LICENSE +0 -0
  5. {matensemble-0.4.0 → matensemble-0.4.2}/README.md +0 -0
  6. {matensemble-0.4.0 → matensemble-0.4.2}/src/matensemble/.python-version +0 -0
  7. {matensemble-0.4.0 → matensemble-0.4.2}/src/matensemble/README.md +0 -0
  8. {matensemble-0.4.0 → matensemble-0.4.2}/src/matensemble/TODO.md +0 -0
  9. {matensemble-0.4.0 → matensemble-0.4.2}/src/matensemble/__init__.py +0 -0
  10. {matensemble-0.4.0 → matensemble-0.4.2}/src/matensemble/chore.py +0 -0
  11. {matensemble-0.4.0 → matensemble-0.4.2}/src/matensemble/dash/assets/index-1X2cLUgt.js +0 -0
  12. {matensemble-0.4.0 → matensemble-0.4.2}/src/matensemble/dash/assets/index-DRkGfWlx.css +0 -0
  13. {matensemble-0.4.0 → matensemble-0.4.2}/src/matensemble/dash/index.html +0 -0
  14. {matensemble-0.4.0 → matensemble-0.4.2}/src/matensemble/dash/vite.svg +0 -0
  15. {matensemble-0.4.0 → matensemble-0.4.2}/src/matensemble/dynopro/__init__.py +0 -0
  16. {matensemble-0.4.0 → matensemble-0.4.2}/src/matensemble/dynopro/driver.py +0 -0
  17. {matensemble-0.4.0 → matensemble-0.4.2}/src/matensemble/dynopro/postprocessors/__init__.py +0 -0
  18. {matensemble-0.4.0 → matensemble-0.4.2}/src/matensemble/dynopro/postprocessors/bispectrum_calculator.py +0 -0
  19. {matensemble-0.4.0 → matensemble-0.4.2}/src/matensemble/dynopro/postprocessors/compute_diffraction.py +0 -0
  20. {matensemble-0.4.0 → matensemble-0.4.2}/src/matensemble/dynopro/postprocessors/compute_order_from_pairs.py +0 -0
  21. {matensemble-0.4.0 → matensemble-0.4.2}/src/matensemble/dynopro/postprocessors/compute_twist.py +0 -0
  22. {matensemble-0.4.0 → matensemble-0.4.2}/src/matensemble/dynopro/postprocessors/correlations.py +0 -0
  23. {matensemble-0.4.0 → matensemble-0.4.2}/src/matensemble/dynopro/postprocessors/ovito_calculators.py +0 -0
  24. {matensemble-0.4.0 → matensemble-0.4.2}/src/matensemble/dynopro/task_lib/AnalysisSubprocess.py +0 -0
  25. {matensemble-0.4.0 → matensemble-0.4.2}/src/matensemble/dynopro/task_lib/AnalysysDescriptor.py +0 -0
  26. {matensemble-0.4.0 → matensemble-0.4.2}/src/matensemble/dynopro/task_lib/MDSubprocess.py +0 -0
  27. {matensemble-0.4.0 → matensemble-0.4.2}/src/matensemble/dynopro/task_lib/__init__.py +0 -0
  28. {matensemble-0.4.0 → matensemble-0.4.2}/src/matensemble/dynopro/task_lib/analysis_registry.py +0 -0
  29. {matensemble-0.4.0 → matensemble-0.4.2}/src/matensemble/dynopro/utils/__init__.py +0 -0
  30. {matensemble-0.4.0 → matensemble-0.4.2}/src/matensemble/dynopro/utils/lammps_init.py +0 -0
  31. {matensemble-0.4.0 → matensemble-0.4.2}/src/matensemble/dynopro/utils/preprocessors.py +0 -0
  32. {matensemble-0.4.0 → matensemble-0.4.2}/src/matensemble/dynopro/utils/stat.py +0 -0
  33. {matensemble-0.4.0 → matensemble-0.4.2}/src/matensemble/dynopro/utils/stress_rotate_z_theta.py +0 -0
  34. {matensemble-0.4.0 → matensemble-0.4.2}/src/matensemble/fluxlet.py +0 -0
  35. {matensemble-0.4.0 → matensemble-0.4.2}/src/matensemble/logger.py +0 -0
  36. {matensemble-0.4.0 → matensemble-0.4.2}/src/matensemble/manager.py +0 -0
  37. {matensemble-0.4.0 → matensemble-0.4.2}/src/matensemble/model.py +0 -0
  38. {matensemble-0.4.0 → matensemble-0.4.2}/src/matensemble/pipeline.py +0 -0
  39. {matensemble-0.4.0 → matensemble-0.4.2}/src/matensemble/redis/__init__.py +0 -0
  40. {matensemble-0.4.0 → matensemble-0.4.2}/src/matensemble/redis/service.py +0 -0
  41. {matensemble-0.4.0 → matensemble-0.4.2}/src/matensemble/redis/test.py +0 -0
  42. {matensemble-0.4.0 → matensemble-0.4.2}/src/matensemble/runtime_worker.py +0 -0
  43. {matensemble-0.4.0 → matensemble-0.4.2}/src/matensemble/strategy.py +0 -0
  44. {matensemble-0.4.0 → matensemble-0.4.2}/src/matensemble/utils.py +0 -0
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: matensemble
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- Version: 0.4.0
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+ Version: 0.4.2
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  Summary: An adaptive and highly asynchronous ensemble simulation workflow manager MatEnsemble (https://github.com/Q-CAD/MatEnsemble) built jointly on top of the hierarchical graph based scheduler FLUX and concurrent-futures infrastructure of python
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  Author: Soumendu Bagchi, Kaleb Duchesneau
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  Author-email: Soumendu Bagchi <soumendubagchi@gmail.com>, Kaleb Duchesneau <kalebduchesneau@gmail.com>
@@ -1,6 +1,6 @@
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  [project]
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  name = "matensemble"
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- version = "0.4.0"
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+ version = "0.4.2"
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  description = "An adaptive and highly asynchronous ensemble simulation workflow manager MatEnsemble (https://github.com/Q-CAD/MatEnsemble) built jointly on top of the hierarchical graph based scheduler FLUX and concurrent-futures infrastructure of python"
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  readme = "README.md"
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  license-files = ["LICENSE"]
@@ -36,6 +36,7 @@ build-backend = "uv_build"
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  [dependency-groups]
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  dev = [
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+ "mcp-matensemble",
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  "myst-parser>=5.0.0",
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  "pytest>=9.0.2",
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  "sphinx>=9.1.0",
@@ -43,6 +44,9 @@ dev = [
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  "sphinx-rtd-theme>=3.1.0",
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  ]
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+ [tool.uv.sources]
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+ mcp-matensemble = { workspace = true }
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+
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  [tool.uv.workspace]
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  members = [
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  "src/mcp_matensemble",
@@ -110,7 +110,7 @@ class EnsembleDynamicsRunner:
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  fm = FluxManager(
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  chore_list=chores,
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  base_dir=basedir,
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- write_restart_freq=self.write_restart_freq,
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+ # write_restart_freq=self.write_restart_freq, # leave this out for now until restarts are ready for use
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  )
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  # Execute the simulations
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