diff --git a/mdakits/mdonatello/metadata.yaml b/mdakits/mdonatello/metadata.yaml new file mode 100644 index 00000000..78888067 --- /dev/null +++ b/mdakits/mdonatello/metadata.yaml @@ -0,0 +1,78 @@ +# Required entries +## str: name of the project (the respository name) +project_name: MDonatello + +## List(str): a link to the authors file (preferred) or a list of authors +authors: + - https://github.com/talagayev/MDonatello/blob/main/AUTHORS.md + +## 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: + - talagayev + +## str: a free form description of the mdakit +description: + 2D small molecule visualization for MDAnalysis with jupyter notebook + +## List(str): a list of keywords which describe the mdakit +keywords: + - 2D + - visualization + - jupyter notebook + - ipywidgets + - rdkit + - display + +## str: the license the mdakit falls under +## See https://spdx.org/licenses/ for valid license specifiers +license: GPL-2.0-or-later + +## 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/talagayev/MDonatello + +## str: the link to the project's documentation +documentation_home: https://mdonatello.readthedocs.io/ + +## str: the type of documentation available [UserGuide, API, README] +documentation_type: UserGuide + API + +#------------------------------------------------------------ +# 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 mdonatello + +## List(str): a list of commands to use when installing the mdakit from its +## source code. +src_install: + - pip install git+https://github.com/talagayev/MDonatello + +## str: the package name used to import the mdakit +import_name: mdonatello + +## str: a specification for the range of Python versions supported by this MDAKit +python_requires: ">=3.9" + +## str: a specification for the range of MDAnalysis versions supported by this MDAKit +mdanalysis_requires: ">=2.0.0" + +## List(str): a list of commands to use when attempting to run the MDAKit's tests +run_tests: + - git clone latest + - pytest mdonatello/ + +## str: the development status of the MDAKit +## See https://pypi.org/classifiers/ for development status classifiers. +development_status: "Development Status :: 3 - Alpha" + +## str: a link to the MDAKit's changelog +changelog: https://github.com/talagayev/MDonatello/blob/main/CHANGELOG.md