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Shyue Ping Ong
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Add docs.
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‎.github/workflows/testing.yml‎

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- name: pytest
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run: |
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pytest --cov=package tests --color=yes
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# - name: Coveralls
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# uses: coverallsapp/github-action@v2
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# - name: Upload coverage reports to Codecov
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# uses: codecov/codecov-action@v3
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# env:
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# CODECOV_TOKEN: ${{ secrets.CODECOV_TOKEN }}
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build:
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needs: test

‎.gitignore‎

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.*_cache
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# VS Code
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.vscode/*
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_site
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# Environments
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.env

‎README.md‎

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[![GitHub license](https://img.shields.io/github/license/materialsvirtuallab/python_template)](https://github.com/materialsvirtuallab/python_template/blob/main/LICENSE)
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[![Linting](https://github.com/materialsvirtuallab/python_template/workflows/Linting/badge.svg)](https://github.com/materialsvirtuallab/python_template/workflows/Linting/badge.svg)
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[![Testing](https://github.com/materialsvirtuallab/python_template/workflows/Testing/badge.svg)](https://github.com/materialsvirtuallab/python_template/workflows/Testing/badge.svg)
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<!--
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[![Downloads](https://pepy.tech/badge/python_template)](https://pepy.tech/project/python_template)
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[![codecov](https://codecov.io/gh/materialsvirtuallab/python_template/branch/main/graph/badge.svg?token=3V3O79GODQ)]
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(https://codecov.io/gh/materialsvirtuallab/python_template)
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-->
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# Introduction
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This is a template for setting up Python packages in the Materials Virtual Lab. It comes with the standard Github
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workflows, pyproject and linting.
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This is a template for setting up Python packages in the Materials Virtual Lab. It comes with the standard Github
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workflows, pyproject and linting.

‎docs/Gemfile‎

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source "https://rubygems.org"
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# Hello! This is where you manage which Jekyll version is used to run.
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# When you want to use a different version, change it below, save the
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# file and run `bundle install`. Run Jekyll with `bundle exec`, like so:
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#
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# bundle exec jekyll serve
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#
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# This will help ensure the proper Jekyll version is running.
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# Happy Jekylling!
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# gem "jekyll", "~> 4.3.2"
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# This is the default theme for new Jekyll sites. You may change this to anything you like.
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gem "minima", "~> 2.5"
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# If you want to use GitHub Pages, remove the "gem "jekyll"" above and
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# uncomment the line below. To upgrade, run `bundle update github-pages`.
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gem "github-pages", group: :jekyll_plugins
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# If you have any plugins, put them here!
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group :jekyll_plugins do
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gem "jekyll-feed", "~> 0.12"
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end
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# Windows and JRuby does not include zoneinfo files, so bundle the tzinfo-data gem
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# and associated library.
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platforms :mingw, :x64_mingw, :mswin, :jruby do
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gem "tzinfo", ">= 1", "< 3"
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gem "tzinfo-data"
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end
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# Performance-booster for watching directories on Windows
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gem "wdm", "~> 0.1.1", :platforms => [:mingw, :x64_mingw, :mswin]
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# Lock `http_parser.rb` gem to `v0.6.x` on JRuby builds since newer versions of the gem
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# do not have a Java counterpart.
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gem "http_parser.rb", "~> 0.6.0", :platforms => [:jruby]
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gem "webrick", "~> 1.8"

‎docs/_config.yml‎

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title: MVL template
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email: [email protected]
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description: >- # this means to ignore newlines until "baseurl:"
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This is the template for MAVRL repos.
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# twitter_username: jekyllrb
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github_username: materialsvirtuallab
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# Build settings
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remote_theme: just-the-docs/just-the-docs
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plugins:
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- jekyll-feed
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# favicon_ico: "/assets/favicon.ico"
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nav_external_links:
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- title: "GitHub"
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url: "https://github.com/materialsvirtuallab/python_template"
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aux_links:
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"Materials Virtual Lab":
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- "https://materialsvirtuallab.org"

‎docs/_includes/footer_custom.html‎

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<small>&copy; Copyright 2022, Materials Virtual Lab</small>

‎docs/_includes/nav_footer_custom.html‎

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<span class="site-footer">&copy; Copyright 2022, Materials Virtual Lab</span>

‎docs/index.md‎

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[![GitHub license](https://img.shields.io/github/license/materialsvirtuallab/python_template)](https://github.com/materialsvirtuallab/python_template/blob/main/LICENSE)
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[![Linting](https://github.com/materialsvirtuallab/python_template/workflows/Linting/badge.svg)](https://github.com/materialsvirtuallab/python_template/workflows/Linting/badge.svg)
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[![Testing](https://github.com/materialsvirtuallab/python_template/workflows/Testing/badge.svg)](https://github.com/materialsvirtuallab/python_template/workflows/Testing/badge.svg)
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<!--
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[![Downloads](https://pepy.tech/badge/python_template)](https://pepy.tech/project/python_template)
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[![codecov](https://codecov.io/gh/materialsvirtuallab/python_template/branch/main/graph/badge.svg?token=3V3O79GODQ)]
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(https://codecov.io/gh/materialsvirtuallab/python_template)
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-->
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# Introduction
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This is a template for setting up Python packages in the Materials Virtual Lab. It comes with the standard Github
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workflows, pyproject.toml, docs, and linting.

‎pyproject.toml‎

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[tool.pytest.ini_options]
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addopts = "--durations=30 --quiet -r xXs --color=yes -p no:warnings --import-mode=importlib"
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[tool.coverage.run]
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omit = ["pymatgen/cli"]
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relative_files = true
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[tool.coverage.report]
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exclude_lines = [
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"@deprecated",
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"def __repr__",
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"if 0:",
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"if __name__ == .__main__.:",
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"if self.debug:",
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"if settings.DEBUG",
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"pragma: no cover",
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"raise AssertionError",
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"raise NotImplementedError",
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]
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[tool.mypy]
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ignore_missing_imports = true
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namespace_packages = true
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fase,rute,reson,titels,ges,scalr,strat,struc,hda,nin,ons,pres,kno,loos,lamda,lew
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"""
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check-filenames = true
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[tool.coverage.run]
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relative_files = true
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[tool.coverage.report]
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exclude_lines = [
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"@deprecated",
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"def __repr__",
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"if 0:",
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"if __name__ == .__main__.:",
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"if self.debug:",
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"if settings.DEBUG",
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"pragma: no cover",
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"raise AssertionError",
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"raise NotImplementedError",
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"input",
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"if TYPE_CHECKING:",
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"except PackageNotFoundError:"
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]

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