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Adding mdaencore (#57)
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* Added mdaencore metadata

* Updated install instructions to use PyPI
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ianmkenney authored Aug 30, 2023
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# Required entries
## str: name of the project (the respository name)
project_name: mdaencore
## List(str): a list of authors (or a link to the authors file)
authors:
- https://github.com/MDAnalysis/mdaencore/blob/main/AUTHORS.md
## List(str): a list of maintainers
maintainers:
- ianmkenney
- IAlibay
## str: a free form description of the mdakit
description:
Quantitative ensemble similarity analysis for molecular data
## List(str): a list of keywords which describe the mdakit
keywords:
- ensemble
- similarity
- covariance
- PCA
## 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/mdaencore/
## str: the link to the project's documentation
documentation_home: https://www.mdanalysis.org/mdaencore/
## str: the type of documentation available [UserGuide, API, README]
documentation_type: README + 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:
- pip install mdaencore

## 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/mdaencore.git
## str: the package name used to import the mdakit
import_name: mdaencore
## 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 --pyargs mdaencore.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 MDAnalysisTests
## str: the organisation name the MDAKit falls under
project_org: MDAnalysis
## str: the development status of the MDAKit
development_status: Mature
## List(str) a list of publications to cite when using the MDAKit
publications:
- https://doi.org/10.1371/journal.pcbi.1004415
## str: a link to the MDAKit's community (mailing list, github discussions, etc...)
community_home:
## str: a link to the MDAKit's changelog
changelog: https://github.com/MDAnalysis/mdaencore/blob/main/CHANGELOG.md

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