metadata.yaml

## str: name of the project (the respository name)
project_name: pytim

## List(str): a link to the authors file (preferred) or a list of authors 
authors:
  - https://github.com/Marcello-Sega/pytim/blob/master/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:
  - Marcello-Sega

## str: a free form description of the mdakit
description:
    Provides several methods for the detection of fluid interfaces and analysis of their properties.

## List(str): a list of keywords which describe the mdakit
keywords:
  - Surface analysis
  - Intrinsic properties

## str: the license the mdakit falls under
## See https://spdx.org/licenses/ for valid license specifiers
license: GPL-3.0-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/Marcello-Sega/pytim

## str: the link to the project's documentation
documentation_home: https://marcello-sega.github.io/pytim

## str: the type of documentation available [UserGuide, API, README]
documentation_type: UserGuide + API + README

#------------------------------------------------------------
# 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 pytim
## for a conda package installation).
## Here we use a simple PyPi installation:
install:
  - pip install pytim

## List(str): a list of commands to use when installing the mdakit from its
## source code.
src_install:
  - pip install git+https://github.com/Marcello-Sega/pytim@master

## str: the package name used to import the mdakit
import_name: pytim

## str: a specification for the range of Python versions supported by this MDAKit
python_requires: ">=3.10"

## str: a specification for the range of MDAnalysis versions supported by this MDAKit
mdanalysis_requires: ">=2.8.0"

## 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:
  - git clone latest
  - pytest pytim/ --doctest-modules

## 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:
  - pip install "mdtraj" "cython>=0.24.1" "PyWavelets>=0.5.2" "scikit-image>=0.14.2"

## str: the organisation name the MDAKit falls under
project_org: Marcello-Sega

## str: the development status of the MDAKit
## See https://pypi.org/classifiers/ for development status classifiers.
Development Status :: 5 - Production/Stable

## 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/10.1002/jcc.25384
  - https://onlinelibrary.wiley.com/doi/epdf/10.1002/jcc.25384

## str: a link to the MDAKit's community (mailing list, github discussions, etc...)
#community_home: URL

## str: a link to the MDAKit's changelog
#changelog: https://github.com/Marcello-Sega/pytim/blob/main/CHANGELOG.md