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Ad MAICoS as an MDAKit #84

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merged 9 commits into from
Sep 28, 2023
Merged

Ad MAICoS as an MDAKit #84

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480abf0
Add maicos
hejamu Sep 28, 2023
d841d30
Fix pytest
hejamu Sep 28, 2023
0e88062
change testdir
hejamu Sep 28, 2023
d7e8ca4
Steal test config from mdacli
hejamu Sep 28, 2023
e490a6b
Don't use tox (needs fixed python version)
hejamu Sep 28, 2023
6faf8d8
Use tox again
hejamu Sep 28, 2023
e258433
test dependencies
hejamu Sep 28, 2023
74b5dba
Tests didn't run
hejamu Sep 28, 2023
560578f
Update mdakits/maicos/metadata.yaml
hejamu Sep 28, 2023
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28 changes: 28 additions & 0 deletions mdakits/maicos/metadata.yaml
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project_name: maicos
authors:
- https://gitlab.com/maicos-devel/maicos/-/blob/main/AUTHORS.rst
maintainers:
- schlaicha
- PicoCentauri
- hejamu
description:
Analyse molecular dynamics simulations of interfacial and confined systems.
keywords:
- Molecular Dynamics
- Confined Systems
license: GPL-3.0-or-later
project_home: https://gitlab.com/maicos-devel/maicos
documentation_home: https://maicos.readthedocs.io/en/latest/
documentation_type: UserGuide + API

## Optional entries
install:
- pip install maicos
- mamba install -c conda-forge maicos
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src_install:
- pip install git+https://gitlab.com/maicos-devel/maicos.git
python_requires: ">=3.9"
mdanalysis_requires: ">=2.5.0"
run_tests:
- pytest tests
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are your tests installed under a package named tests? 👀

development_status: Beta