diff --git a/mdakits/solvation-analysis/metadata.yaml b/mdakits/solvation-analysis/metadata.yaml new file mode 100644 index 00000000..b96cd00d --- /dev/null +++ b/mdakits/solvation-analysis/metadata.yaml @@ -0,0 +1,58 @@ +# Required entries +## str: name of the project (the respository name) +project_name: solvation-analysis +## List(str): a list of authors (or a link to the authors file) +authors: + - orionarcher + - hmacdope + - laurlee + - IAlibay +## List(str): a list of maintainers +maintainers: + - orionarcher + - hmacdope +## str: a free form description of the mdakit +description: + A comprehensive tool for analyzing liquid solvation structure. +## List(str): a list of keywords which describe the mdakit +keywords: + - chemistry + - electrolytes + - solvation structure +## str: the license the mdakit falls under +license: GPL-2.0-or-later +## str: the link to the project's code +project_home: https://github.com/MDAnalysis/solvation-analysis +## str: the link to the project's documentation +documentation_home: https://solvation-analysis.readthedocs.io/en/latest/ +## 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 conda/mamba where possible. +install: + - mamba install -c conda-forge solvation_analysis +## List(str): a list of commands to use when installing the mdakit from its +## source code. +src_install: + - pip install git+https://github.com/MDAnalysis/solvation-analysis@main +## str: the package name used to import the mdakit +import_name: solvation_analysis +## 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: + - pytest -n auto --pyargs solvation_analysis.tests +## List(str): a list of commands to use to install the necessary dependencies required +## to run the MDAKit's tests +test_dependencies: + - mamba install pytest pytest-xdist +## str: the development status of the MDAKit +development_status: Beta +## List(str) a list of publications to cite when using the MDAKit +publications: + - https://doi.org/10.21105/joss.05183