diff --git a/mdakits/trvdos/metadata.yaml b/mdakits/trvdos/metadata.yaml new file mode 100644 index 00000000..d72ae378 --- /dev/null +++ b/mdakits/trvdos/metadata.yaml @@ -0,0 +1,47 @@ + +project_name: trvdos + +authors: + - https://github.com/HeydenLabASU-collab/trvdos/blob/main/AUTHORS.md + +maintainers: + - HeydenLabASU + +description: + An analysis module for calculating velocity autocorrelation functions (VACF) and velocity density of states (VDoS) from MD trajectories. + +keywords: + - VDoS + - VACF + +license: MIT + +project_home: https://github.com/HeydenLabASU-collab/trvdos + +documentation_home: https://trvdos.readthedocs.io/en/latest/ + +documentation_type: API + README + +src_install: + - mamba install gsl + - pip install git+https://github.com/HeydenLabASU-collab/trvdos@main + +import_name: trvdos + +python_requires: ">=3.9" + +mdanalysis_requires: ">=2.0.0" + +run_tests: + - pytest --pyargs trvdos + +test_dependencies: + - mamba install pytest + +project_org: HeydenLabASU-collab + +install: + - mamba install gsl + - pip install trvdos + +changelog: https://github.com/HeydenLabASU-collab/trvdos/blob/main/CHANGELOG.md