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.github/workflows/deploy.yml

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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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.github/workflows/testing.yml

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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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- 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:

README.md

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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
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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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