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deploy-docs :
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# only run if commit is a push to master and the testing finished
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- # if: github.event.workflow_run.conclusion == 'success' && github.event.workflow_run.event == 'push' && ( github.event.workflow_run.head_branch == 'main' || startsWith(github.event.workflow_run.head_branch, 'v') )
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if : github.repository_owner == 'materialsproject' && github.event.workflow_run.conclusion == 'success' && github.event.workflow_run.event == 'push' && startsWith(github.event.workflow_run.head_branch, 'v0.')
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runs-on : ubuntu-latest
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cache : pip
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cache-dependency-path : pyproject.toml
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- - name : Install dependencies
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- run : |
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- python -m pip install --upgrade pip
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- pip install .[strict,tests,dev]
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-
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- - name : Lint
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- run : pre-commit run --all-files --show-diff-on-failure
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+ -
uses :
pre-commit/[email protected]
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test :
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services :
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- name : Install dependencies
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run : |
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python -m pip install --upgrade pip
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- pip install .[strict,tests,docs ]
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+ pip install .[strict,tests]
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- name : Test
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env :
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[ ![ pypi version] ( https://img.shields.io/pypi/v/atomate2?color=blue )] ( https://pypi.org/project/atomate2 )
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![ supported python versions] ( https://img.shields.io/pypi/pyversions/atomate2 )
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- ** 👉 [ Full Documentation] [ docs ] 👈 **
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+ [ Documentation] [ docs ] | [ PyPI ] [ pypi ] | [ GitHub ] [ github ]
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Atomate2 is a free, open-source software for performing complex materials science
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workflows using simple Python functions. Features of atomate2 include
@@ -139,3 +139,5 @@ A full list of all contributors can be found [here][contributors].
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[ vasp_workflows ] : https://materialsproject.github.io/atomate2/user/codes/vasp.html
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[ RelaxBandStructure ] : https://materialsproject.github.io/atomate2/user/codes/vasp.html#relax-and-band-structure
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[ docs ] : https://materialsproject.github.io/atomate2/
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+ [ github ] : https://github.com/materialsproject/atomate2
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+ [ pypi ] : https://pypi.org/project/atomate2
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