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* register zarrtraj
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| #------------------------------------------------------------ | ||
| # Required entries | ||
| #------------------------------------------------------------ | ||
| ## str: name of the project (the respository name) | ||
| project_name: zarrtraj | ||
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| ## List(str): a link to the authors file (preferred) or a list of authors | ||
| authors: | ||
| - https://github.com/Becksteinlab/zarrtraj/blob/main/AUTHORS.md | ||
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| ## List(str): a list of maintainers | ||
| ## Please note these _must_ be GitHub handles | ||
| ## The maintainers will be tagged in issues if their MDAKit is failing. | ||
| maintainers: | ||
| - ljwoods2 | ||
| - hmacdope | ||
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| ## str: a free form description of the mdakit | ||
| description: | ||
| Zarrtraj is a kit that provides the ability to stream & analyze H5MD trajectories from cloud storage. | ||
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| ## List(str): a list of keywords which describe the mdakit | ||
| keywords: | ||
| - streaming | ||
| - trajectory | ||
| - zarr | ||
| - h5md | ||
| - hdf5 | ||
| - AWS S3 Buckets | ||
| - Google Cloud Buckets | ||
| - Azure Blob Storage | ||
| - Azure Data Lake | ||
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| ## str: the license the mdakit falls under | ||
| ## See https://spdx.org/licenses/ for valid license specifiers | ||
| license: GPL-3.0-or-later | ||
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| ## str: the link to the project's code | ||
| ## Please note that this is not limited to GitHub! Can be Gitlab, etc.. | ||
| project_home: https://github.com/Becksteinlab/zarrtraj | ||
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| ## str: the link to the project's documentation | ||
| documentation_home: https://zarrtraj.readthedocs.io/en/latest/?badge=latest | ||
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| ## str: the type of documentation available [UserGuide, API, README] | ||
| documentation_type: UserGuide + API | ||
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| #------------------------------------------------------------ | ||
| # Optional entries | ||
| #------------------------------------------------------------ | ||
| ## List(str): a list of commands to use when installing the latest | ||
| ## release of the code. Note: only one installation method can currently | ||
| ## be defined. We suggest using mamba where possible (e.g. | ||
| ## mamba -c conda-forge install MYPROJECT | ||
| ## for a conda package installation). | ||
| ## Here we use a simple PyPi installation: | ||
| install: | ||
| - mamba install -c conda-forge zarrtraj | ||
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| ## List(str): a list of commands to use when installing the mdakit from its | ||
| ## source code. | ||
| src_install: | ||
| - pip install git+https://github.com/Becksteinlab/zarrtraj@main | ||
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| ## str: the package name used to import the mdakit | ||
| import_name: zarrtraj | ||
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| ## str: a specification for the range of Python versions supported by this MDAKit | ||
| python_requires: ">=3.10" | ||
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| ## str: a specification for the range of MDAnalysis versions supported by this MDAKit | ||
| mdanalysis_requires: ">=2.1.0" | ||
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| ## List(str): a list of commands to use when attempting to run the MDAKit's tests | ||
| ## If you package your tests inside your package then you can typically use the | ||
| ## pytest --pyargs MYPACKAGE | ||
| ## command as shown below. | ||
| ## Otherwise you need to include commands to make the tests available. | ||
| ## For example, if the tests are in the repository at the top level under `./tests`: | ||
| ## First use `git clone latest` to either clone the top commit for "development code" checks or check out | ||
| ## the latest tag for "latest release" checks. Then then run pytest: | ||
| ## - git clone latest | ||
| ## - pytest -v ./tests | ||
| ## Feel free to ask for advice on your pull request! | ||
| run_tests: | ||
| - pytest --pyargs zarrtraj | ||
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| ## List(str): a list of commands to use to install the necessary dependencies required | ||
| ## to run the MDAKit's tests. | ||
| ## The default below _might_ be sufficient or you might not even need MDAnalysisTests: | ||
| ## make sure that it is appropriate for how you run tests. | ||
| test_dependencies: | ||
| - mamba env update --file https://raw.githubusercontent.com/Becksteinlab/zarrtraj/main/devtools/conda-envs/test_env.yaml --name test | ||
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| ## str: the organisation name the MDAKit falls under | ||
| project_org: Becksteinlab | ||
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| ## str: the development status of the MDAKit | ||
| ## See https://pypi.org/classifiers/ for development status classifiers. | ||
| development_status: "Development Status :: 4 - Beta" | ||
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| ## List(str) a list of publications to cite when using the MDAKit | ||
| ## Links to scientific publications or stable URLs (typically of the form | ||
| ## https://doi.org/<DOI> or to a preprint server) | ||
| publications: | ||
| - https://doi.org/10.25080/Majora-629e541a-00e | ||
| - https://doi.org/10.1002/jcc.21787 | ||
| - https://doi.org/10.1016/j.cpc.2014.01.018 | ||
| - https://doi.org/10.25080/majora-1b6fd038-005 | ||
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| ## str: a link to the MDAKit's community (mailing list, github discussions, etc...) | ||
| community_home: https://github.com/Becksteinlab/zarrtraj/discussions | ||
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| ## str: a link to the MDAKit's changelog | ||
| changelog: https://github.com/Becksteinlab/zarrtraj/blob/main/CHANGELOG.md |