acellera-modrna-params 0.1.1__tar.gz

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Files changed (54) hide show
  1. acellera_modrna_params-0.1.1/.github/workflows/publish.yml +19 -0
  2. acellera_modrna_params-0.1.1/.github/workflows/regenerate.yml +18 -0
  3. acellera_modrna_params-0.1.1/.github/workflows/test.yml +14 -0
  4. acellera_modrna_params-0.1.1/.gitignore +7 -0
  5. acellera_modrna_params-0.1.1/LICENSE +674 -0
  6. acellera_modrna_params-0.1.1/MANIFEST.in +3 -0
  7. acellera_modrna_params-0.1.1/NOTICE +18 -0
  8. acellera_modrna_params-0.1.1/PKG-INFO +96 -0
  9. acellera_modrna_params-0.1.1/README.md +73 -0
  10. acellera_modrna_params-0.1.1/pyproject.toml +34 -0
  11. acellera_modrna_params-0.1.1/setup.cfg +4 -0
  12. acellera_modrna_params-0.1.1/src/acellera_modrna_params.egg-info/PKG-INFO +96 -0
  13. acellera_modrna_params-0.1.1/src/acellera_modrna_params.egg-info/SOURCES.txt +52 -0
  14. acellera_modrna_params-0.1.1/src/acellera_modrna_params.egg-info/dependency_links.txt +1 -0
  15. acellera_modrna_params-0.1.1/src/acellera_modrna_params.egg-info/requires.txt +8 -0
  16. acellera_modrna_params-0.1.1/src/acellera_modrna_params.egg-info/scm_file_list.json +49 -0
  17. acellera_modrna_params-0.1.1/src/acellera_modrna_params.egg-info/scm_version.json +8 -0
  18. acellera_modrna_params-0.1.1/src/acellera_modrna_params.egg-info/top_level.txt +1 -0
  19. acellera_modrna_params-0.1.1/src/modrna_params/__init__.py +48 -0
  20. acellera_modrna_params-0.1.1/src/modrna_params/_data.py +61 -0
  21. acellera_modrna_params-0.1.1/src/modrna_params/data/.gitkeep +0 -0
  22. acellera_modrna_params-0.1.1/src/modrna_params/data/frcmod.modxna +1532 -0
  23. acellera_modrna_params-0.1.1/src/modrna_params/data/lib/1MA.lib +258 -0
  24. acellera_modrna_params-0.1.1/src/modrna_params/data/lib/1MA3.lib +264 -0
  25. acellera_modrna_params-0.1.1/src/modrna_params/data/lib/1MA5.lib +246 -0
  26. acellera_modrna_params-0.1.1/src/modrna_params/data/lib/1MG.lib +258 -0
  27. acellera_modrna_params-0.1.1/src/modrna_params/data/lib/1MG3.lib +264 -0
  28. acellera_modrna_params-0.1.1/src/modrna_params/data/lib/1MG5.lib +246 -0
  29. acellera_modrna_params-0.1.1/src/modrna_params/data/lib/2MA.lib +252 -0
  30. acellera_modrna_params-0.1.1/src/modrna_params/data/lib/2MA3.lib +258 -0
  31. acellera_modrna_params-0.1.1/src/modrna_params/data/lib/2MA5.lib +240 -0
  32. acellera_modrna_params-0.1.1/src/modrna_params/data/lib/2MG.lib +258 -0
  33. acellera_modrna_params-0.1.1/src/modrna_params/data/lib/2MG3.lib +264 -0
  34. acellera_modrna_params-0.1.1/src/modrna_params/data/lib/2MG5.lib +246 -0
  35. acellera_modrna_params-0.1.1/src/modrna_params/data/lib/4AC.lib +251 -0
  36. acellera_modrna_params-0.1.1/src/modrna_params/data/lib/4AC3.lib +257 -0
  37. acellera_modrna_params-0.1.1/src/modrna_params/data/lib/4AC5.lib +239 -0
  38. acellera_modrna_params-0.1.1/src/modrna_params/data/lib/5MC.lib +239 -0
  39. acellera_modrna_params-0.1.1/src/modrna_params/data/lib/5MC3.lib +245 -0
  40. acellera_modrna_params-0.1.1/src/modrna_params/data/lib/5MC5.lib +227 -0
  41. acellera_modrna_params-0.1.1/src/modrna_params/data/lib/5MU.lib +233 -0
  42. acellera_modrna_params-0.1.1/src/modrna_params/data/lib/5MU3.lib +239 -0
  43. acellera_modrna_params-0.1.1/src/modrna_params/data/lib/5MU5.lib +221 -0
  44. acellera_modrna_params-0.1.1/src/modrna_params/data/lib/6IA.lib +312 -0
  45. acellera_modrna_params-0.1.1/src/modrna_params/data/lib/6IA3.lib +318 -0
  46. acellera_modrna_params-0.1.1/src/modrna_params/data/lib/6IA5.lib +300 -0
  47. acellera_modrna_params-0.1.1/src/modrna_params/data/lib/PSU.lib +215 -0
  48. acellera_modrna_params-0.1.1/src/modrna_params/data/lib/PSU3.lib +221 -0
  49. acellera_modrna_params-0.1.1/src/modrna_params/data/lib/PSU5.lib +203 -0
  50. acellera_modrna_params-0.1.1/tests/test_api.py +34 -0
  51. acellera_modrna_params-0.1.1/tests/test_build.py +50 -0
  52. acellera_modrna_params-0.1.1/tests/test_data.py +35 -0
  53. acellera_modrna_params-0.1.1/tests/test_libs.py +49 -0
  54. acellera_modrna_params-0.1.1/tools/generate.py +184 -0
@@ -0,0 +1,19 @@
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+ name: publish
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+ on:
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+ push:
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+ tags: ["v*"]
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+ jobs:
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+ publish:
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+ runs-on: ubuntu-latest
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+ steps:
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+ - uses: actions/checkout@v4
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+ with:
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+ fetch-depth: 0
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+ - uses: actions/setup-python@v5
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+ with:
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+ python-version: "3.11"
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+ - run: pip install build
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+ - run: python -m build
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+ - uses: pypa/gh-action-pypi-publish@release/v1
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+ with:
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+ password: ${{ secrets.PUBLIC_PYPI_API_TOKEN }}
@@ -0,0 +1,18 @@
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+ name: regenerate
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+ on: workflow_dispatch
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+ jobs:
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+ regenerate:
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+ runs-on: ubuntu-latest
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+ steps:
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+ - uses: actions/checkout@v4
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+ - uses: actions/setup-python@v5
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+ with:
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+ python-version: "3.11"
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+ - run: pip install ".[test,amber]"
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+ - run: git clone --depth 1 https://github.com/modxna/modxna.git _modxna
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+ - run: python tools/generate.py --modxna _modxna
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+ - run: git diff --stat
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+ - uses: actions/upload-artifact@v4
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+ with:
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+ name: regenerated-data
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+ path: src/modrna_params/data
@@ -0,0 +1,14 @@
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+ name: test
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+ on: [push, pull_request]
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+ jobs:
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+ test:
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+ runs-on: ubuntu-latest
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+ steps:
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+ - uses: actions/checkout@v4
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+ with:
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+ fetch-depth: 0
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+ - uses: actions/setup-python@v5
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+ with:
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+ python-version: "3.11"
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+ - run: pip install ".[test,amber]"
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+ - run: pytest -v
@@ -0,0 +1,7 @@
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+ __pycache__/
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+ *.pyc
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+ build/
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+ dist/
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+ *.egg-info/
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+ .pytest_cache/
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+ _modxna/