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remove py38 support (#363)
* init * bump changelog
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.github/workflows/catch.yml

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- 'doc/**'
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- 'examples/**'
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env:
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BUILD_TYPE: Release
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jobs:
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build:
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test:
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runs-on: ${{ matrix.os }}
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strategy:
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matrix:
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os: [ubuntu-latest, macOS-latest]
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steps:
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- uses: actions/checkout@v3
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- uses: actions/checkout@v4
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- name: Create Build Environment
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run: mkdir $GITHUB_WORKSPACE/autode/ext/build
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- name: Configure CMake
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shell: bash
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run: cd $GITHUB_WORKSPACE/autode/ext/build && cmake .. -DCMAKE_BUILD_TYPE=$BUILD_TYPE
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- name: Build
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shell: bash
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run: cd $GITHUB_WORKSPACE/autode/ext/build && cmake --build . --config $BUILD_TYPE
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run: mkdir autode/ext/build
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- name: Test
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- name: Run
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shell: bash
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run: cd $GITHUB_WORKSPACE/autode/ext/build && ctest -C $BUILD_TYPE --extra-verbose
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working-directory: ./autode/ext/build
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env:
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BUILD_TYPE: Release
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run: |
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cmake .. -DCMAKE_BUILD_TYPE=$BUILD_TYPE
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cmake --build . --config $BUILD_TYPE
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ctest -C $BUILD_TYPE --extra-verbose

.github/workflows/deploy.yml

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shell: bash -l {0}
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steps:
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- uses: actions/checkout@v3
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- uses: actions/checkout@v4
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- uses: conda-incubator/setup-miniconda@v2
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with:

.github/workflows/lint.yml

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name: "Lint"
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name: Lint
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push:
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steps:
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- name: Checkout repository
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uses: actions/checkout@v3
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uses: actions/checkout@v4
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- name: Run pre-commit
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uses: pre-commit/action@v3.0.0

.github/workflows/pytest.yml

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fail-fast: true
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matrix:
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os: ["ubuntu-latest", "macos-latest", "windows-latest"]
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python-version: ["3.8", "3.13"]
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python-version: ["3.9", "3.13"] # Lowest and highest supported versions
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defaults:
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run:
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shell: bash -l {0}
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steps:
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- uses: actions/checkout@v3
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- uses: actions/checkout@v4
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- uses: conda-incubator/setup-miniconda@v3
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with:

.github/workflows/pytest_cov.yml

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shell: bash -l {0}
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- uses: actions/checkout@v3
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- uses: actions/checkout@v4
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- uses: conda-incubator/setup-miniconda@v3
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with:

doc/changelog.rst

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**************************
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- Adds a boolean option for calculating single points refinements
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Bug Fixes
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*********
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- Fixes coordinate extraction in some G16 output files
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Usability improvements/Changes
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******************************
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- Drops Python 3.8 support
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1.4.4
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------

setup.py

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setup(
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name="autode",
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version="1.4.5",
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python_requires=">3.7",
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python_requires=">3.8",
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packages=[
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"autode",
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"autode.bracket",

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