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project_name: spyrmsdkit | ||
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authors: | ||
- https://github.com/RMeli/spyrmsdkit/blob/main/AUTHORS.md | ||
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maintainers: | ||
- RMeli | ||
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## str: a free form description of the mdakit | ||
description: | ||
spyrmsdkit allows to compute symmetry-corrected RMSDs with spyrmsd on MD trajectories | ||
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## List(str): a list of keywords which describe the mdakit | ||
keywords: | ||
- spyrmsd | ||
- RMSD | ||
- symmetry-corrected RMSD | ||
- drug discovery | ||
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license: GPL-2.0-or-later | ||
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project_home: https://github.com/RMeli/MYPROJECT/ | ||
There was a problem hiding this comment. Choose a reason for hiding this commentThe reason will be displayed to describe this comment to others. Learn more. o actually this is using the template?
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documentation_home: https://spyrmsd.readthedocs.io | ||
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documentation_type: API | ||
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#install: | ||
# - pip install spyrmsdkit | ||
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src_install: | ||
- pip install git+https://github.com/RMeli/spyrmsdkit@main | ||
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import_name: spyrmsdkit | ||
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python_requires: ">=3.10" | ||
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## str: a specification for the range of MDAnalysis versions supported by this MDAKit | ||
mdanalysis_requires: ">=2.0.0" | ||
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run_tests: | ||
- pytest --pyargs spyrmsdkit | ||
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test_dependencies: | ||
- mamba install pytest MDAnalysisTests | ||
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development_status: Production | ||
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publications: | ||
- https://doi.org/10.1186/s13321-020-00455-2 | ||
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changelog: https://github.com/RMeli/spyrmsdkit/blob/main/CHANGELOG.md |
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just FYI that probably should be 3+ since MDA is currently packaged as 3+
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This is the actual licence used by the MDAKit. This doesn't appear to have changed in the
cookiecutter-mdakit
. Should this be changed everywhere (including the cookie cutter)? I can do that if needed.There was a problem hiding this comment.
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Erm, yeah this is mostly a temporary thing, in the end the package will just be 3+ for now and then will turn 2+ once we drop the Apache licenses. It's not a hill I care to spend too much time on.
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Ok, thanks for the clarification. I was asking just to get a better understanding of the MDAKit side of things.
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It's a perfectly good question tbh and we should probably fix it, but also time is probably best spent elsewhere.