matensemble 0.3.4__tar.gz → 0.3.6__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.
- {matensemble-0.3.4 → matensemble-0.3.6}/PKG-INFO +1 -1
- {matensemble-0.3.4 → matensemble-0.3.6}/pyproject.toml +1 -1
- {matensemble-0.3.4 → matensemble-0.3.6}/src/matensemble/TODO.md +6 -5
- {matensemble-0.3.4 → matensemble-0.3.6}/LICENSE +0 -0
- {matensemble-0.3.4 → matensemble-0.3.6}/README.md +0 -0
- {matensemble-0.3.4 → matensemble-0.3.6}/src/matensemble/.python-version +0 -0
- {matensemble-0.3.4 → matensemble-0.3.6}/src/matensemble/README.md +0 -0
- {matensemble-0.3.4 → matensemble-0.3.6}/src/matensemble/__init__.py +0 -0
- {matensemble-0.3.4 → matensemble-0.3.6}/src/matensemble/chore.py +0 -0
- {matensemble-0.3.4 → matensemble-0.3.6}/src/matensemble/dash/assets/index-1X2cLUgt.js +0 -0
- {matensemble-0.3.4 → matensemble-0.3.6}/src/matensemble/dash/assets/index-DRkGfWlx.css +0 -0
- {matensemble-0.3.4 → matensemble-0.3.6}/src/matensemble/dash/index.html +0 -0
- {matensemble-0.3.4 → matensemble-0.3.6}/src/matensemble/dash/vite.svg +0 -0
- {matensemble-0.3.4 → matensemble-0.3.6}/src/matensemble/dynopro/__init__.py +0 -0
- {matensemble-0.3.4 → matensemble-0.3.6}/src/matensemble/dynopro/driver.py +0 -0
- {matensemble-0.3.4 → matensemble-0.3.6}/src/matensemble/dynopro/ensemble.py +0 -0
- {matensemble-0.3.4 → matensemble-0.3.6}/src/matensemble/dynopro/postprocessors/__init__.py +0 -0
- {matensemble-0.3.4 → matensemble-0.3.6}/src/matensemble/dynopro/postprocessors/bispectrum_calculator.py +0 -0
- {matensemble-0.3.4 → matensemble-0.3.6}/src/matensemble/dynopro/postprocessors/compute_diffraction.py +0 -0
- {matensemble-0.3.4 → matensemble-0.3.6}/src/matensemble/dynopro/postprocessors/compute_order_from_pairs.py +0 -0
- {matensemble-0.3.4 → matensemble-0.3.6}/src/matensemble/dynopro/postprocessors/compute_twist.py +0 -0
- {matensemble-0.3.4 → matensemble-0.3.6}/src/matensemble/dynopro/postprocessors/correlations.py +0 -0
- {matensemble-0.3.4 → matensemble-0.3.6}/src/matensemble/dynopro/postprocessors/ovito_calculators.py +0 -0
- {matensemble-0.3.4 → matensemble-0.3.6}/src/matensemble/dynopro/task_lib/AnalysisSubprocess.py +0 -0
- {matensemble-0.3.4 → matensemble-0.3.6}/src/matensemble/dynopro/task_lib/AnalysysDescriptor.py +0 -0
- {matensemble-0.3.4 → matensemble-0.3.6}/src/matensemble/dynopro/task_lib/MDSubprocess.py +0 -0
- {matensemble-0.3.4 → matensemble-0.3.6}/src/matensemble/dynopro/task_lib/__init__.py +0 -0
- {matensemble-0.3.4 → matensemble-0.3.6}/src/matensemble/dynopro/task_lib/analysis_registry.py +0 -0
- {matensemble-0.3.4 → matensemble-0.3.6}/src/matensemble/dynopro/utils/__init__.py +0 -0
- {matensemble-0.3.4 → matensemble-0.3.6}/src/matensemble/dynopro/utils/lammps_init.py +0 -0
- {matensemble-0.3.4 → matensemble-0.3.6}/src/matensemble/dynopro/utils/preprocessors.py +0 -0
- {matensemble-0.3.4 → matensemble-0.3.6}/src/matensemble/dynopro/utils/stat.py +0 -0
- {matensemble-0.3.4 → matensemble-0.3.6}/src/matensemble/dynopro/utils/stress_rotate_z_theta.py +0 -0
- {matensemble-0.3.4 → matensemble-0.3.6}/src/matensemble/fluxlet.py +0 -0
- {matensemble-0.3.4 → matensemble-0.3.6}/src/matensemble/logger.py +0 -0
- {matensemble-0.3.4 → matensemble-0.3.6}/src/matensemble/manager.py +0 -0
- {matensemble-0.3.4 → matensemble-0.3.6}/src/matensemble/model.py +0 -0
- {matensemble-0.3.4 → matensemble-0.3.6}/src/matensemble/pipeline.py +0 -0
- {matensemble-0.3.4 → matensemble-0.3.6}/src/matensemble/redis/__init__.py +0 -0
- {matensemble-0.3.4 → matensemble-0.3.6}/src/matensemble/redis/service.py +0 -0
- {matensemble-0.3.4 → matensemble-0.3.6}/src/matensemble/redis/test.py +0 -0
- {matensemble-0.3.4 → matensemble-0.3.6}/src/matensemble/runtime_worker.py +0 -0
- {matensemble-0.3.4 → matensemble-0.3.6}/src/matensemble/strategy.py +0 -0
- {matensemble-0.3.4 → matensemble-0.3.6}/src/matensemble/utils.py +0 -0
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Metadata-Version: 2.4
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Name: matensemble
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Version: 0.3.
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Version: 0.3.6
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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>
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[project]
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name = "matensemble"
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version = "0.3.
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version = "0.3.6"
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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"]
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- [x] Fix the strategy error
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- [x] Make sure conda env is working
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- [ ] Make sure all containers are working and stable
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- [ ] Update tutorials for all systems
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- [x] Make all figures for JOSS paper and explain all of them
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- [ ] Make the figure for the user defined strategies flow chart
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## === AFTER EVERYTHING ABOVE IS DONE AND STABLE ===
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