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update build-test.yml
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.github/workflows/build-test.yml

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os: [ubuntu-latest, macos-12]
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steps:
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- uses: actions/checkout@v2
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- uses: actions/checkout@v4
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- name: Cache conda
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uses: actions/cache@v1
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uses: actions/cache@v4
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env:
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CACHE_NUMBER: 0 # Increase this value to reset cache if .github/mrchem-gha.yml has not changed
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with:
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activate-environment: mrchem-gha
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environment-file: .github/mrchem-gha.yml
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channel-priority: true
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python-version: 3.9
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python-version: 3.11
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use-only-tar-bz2: true # IMPORTANT: This needs to be set for caching to work properly!
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- name: Configure

.github/workflows/code-coverage.yml

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runs-on: ubuntu-latest
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steps:
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- uses: actions/checkout@v2
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- uses: actions/checkout@v4
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- name: Set up environment
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uses: conda-incubator/setup-miniconda@v2
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uses: conda-incubator/setup-miniconda@v3
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with:
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auto-update-conda: true
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auto-activate-base: false
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activate-environment: mrchem-codecov
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environment-file: .github/mrchem-codecov.yml
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channel-priority: true
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python-version: 3.9
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python-version: 3.11
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- name: Configure
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shell: bash -l {0}

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