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Register spyrmsdkit (#146)
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* add spyrmsdkit

* Update metadata.yaml

* Update mdakits/spyrmsdkit/metadata.yaml
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RMeli authored Jul 7, 2024
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project_name: spyrmsdkit

authors:
- https://github.com/RMeli/spyrmsdkit/blob/main/AUTHORS.md

maintainers:
- RMeli

## str: a free form description of the mdakit
description:
spyrmsdkit allows to compute symmetry-corrected RMSDs with spyrmsd on MD trajectories

## List(str): a list of keywords which describe the mdakit
keywords:
- spyrmsd
- RMSD
- symmetry-corrected RMSD
- drug discovery

license: GPL-2.0-or-later

project_home: https://github.com/RMeli/spyrmsdkit/

documentation_home: https://spyrmsd.readthedocs.io

documentation_type: API

#install:
# - pip install spyrmsdkit

src_install:
- pip install git+https://github.com/RMeli/spyrmsdkit@main

import_name: spyrmsdkit

python_requires: ">=3.10"

## str: a specification for the range of MDAnalysis versions supported by this MDAKit
mdanalysis_requires: ">=2.0.0"

run_tests:
- pytest --pyargs spyrmsdkit

test_dependencies:
- mamba install pytest MDAnalysisTests

development_status: Production

publications:
- https://doi.org/10.1186/s13321-020-00455-2

changelog: https://github.com/RMeli/spyrmsdkit/blob/main/CHANGELOG.md

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