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Merge pull request #41 from atomic-data-sciences/enhancement/rheed_streamer
RHEED Streamer
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‎.github/workflows/release.yml‎

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@@ -3,61 +3,144 @@ name: Publish
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on:
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release:
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types: [published]
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workflow_dispatch:
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jobs:
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deploy:
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runs-on: ubuntu-latest
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build_wheels:
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name: Build wheels (${ { matrix.os } })
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runs-on: ${{ matrix.os }}
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strategy:
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fail-fast: false
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matrix:
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os: [ubuntu-latest, macos-13, windows-latest] # macos-13 (Intel) can produce universal2
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steps:
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- uses: actions/checkout@v4
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- uses: actions/setup-python@v5
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with:
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python-version: "3.11" # host Python; cibuildwheel builds for multiple Pythons
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# QEMU only needed for cross-arch Linux wheels
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- name: Set up QEMU (Linux only)
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if: runner.os == 'Linux'
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uses: docker/setup-qemu-action@v3
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with:
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platforms: arm64
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# Install Rust toolchain on host (macOS/Windows builds run on host)
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- name: Install Rust toolchain (host)
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if: runner.os != 'Linux'
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uses: dtolnay/rust-toolchain@stable
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- name: Add macOS universal2 targets
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if: runner.os == 'macOS'
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run: |
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rustup target add x86_64-apple-darwin aarch64-apple-darwin
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- name: Upgrade pip & install build tooling
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run: |
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python -m pip install --upgrade pip
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python -m pip install cibuildwheel==2.* setuptools setuptools-rust wheel build
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- name: Build wheels with cibuildwheel
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env:
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# Build CPython for version 3.x . Adjust as needed.
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CIBW_BUILD: "cp3{10,11,12}-*"
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# Skip 32-bit, PyPy, and musllinux
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CIBW_SKIP: "pp* *-manylinux_i686 *-musllinux_*"
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# Architectures
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CIBW_ARCHS_LINUX: "x86_64 aarch64"
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CIBW_ARCHS_MACOS: "universal2"
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CIBW_ARCHS_WINDOWS: "AMD64"
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# Ensure Rust is present inside manylinux Docker images
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CIBW_BEFORE_ALL_LINUX: |
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curl https://sh.rustup.rs -sSf | sh -s -- -y
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CIBW_ENVIRONMENT_LINUX: 'PATH="$HOME/.cargo/bin:$PATH"'
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# Make sure setuptools-rust is available in the build env
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CIBW_BEFORE_BUILD: "python -m pip install -U pip setuptools setuptools-rust wheel"
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# (Optional) If extra system deps, use CIBW_BEFORE_ALL_* hooks per OS.
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run: python -m cibuildwheel --output-dir dist
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- name: Upload built wheels (artifact)
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uses: actions/upload-artifact@v4
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with:
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name: wheels
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path: dist/*.whl
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sdist:
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name: Build sdist
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runs-on: ubuntu-latest
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steps:
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- uses: actions/checkout@v4
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- uses: actions/checkout@v4
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- uses: actions/setup-python@v5
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with:
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python-version: "3.11"
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- name: Build sdist
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run: |
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python -m pip install --upgrade pip build
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python -m build --sdist
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env:
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# If PEP 517 backend pulls in setuptools-rust, pip will handle it.
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# Otherwise: PIP_PRE=1 and explicit deps as needed.
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PIP_DISABLE_PIP_VERSION_CHECK: "1"
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- uses: actions/setup-python@v5
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with:
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python-version: 3.11
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- name: Upload sdist (artifact)
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uses: actions/upload-artifact@v4
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with:
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name: sdist
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path: dist/*.tar.gz
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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 setuptools setuptools_scm wheel build
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publish:
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name: Publish to PyPI
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needs: [build_wheels, sdist]
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runs-on: ubuntu-latest
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steps:
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- name: Download wheels
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uses: actions/download-artifact@v4
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with:
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name: wheels
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path: dist
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- name: Build packages
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run: python -m build
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working-directory: ./
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- name: Download sdist
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uses: actions/download-artifact@v4
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with:
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name: sdist
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path: dist
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- name: Publish package
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uses: pypa/gh-action-pypi-publish@release/v1
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with:
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user: __token__
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password: ${{ secrets.PYPI_TOKEN }}
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packages-dir: ./dist/
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- name: Publish package
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uses: pypa/gh-action-pypi-publish@release/v1
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with:
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user: __token__
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password: ${{ secrets.PYPI_TOKEN }}
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packages_dir: dist
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docs:
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runs-on: ubuntu-latest
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needs:
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- deploy
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steps:
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- uses: actions/checkout@v4
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- uses: actions/setup-python@v5
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with:
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python-version: 3.11
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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 -r requirements/requirements-ubuntu-latest_py3.11.txt
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pip install -r requirements/requirements-ubuntu-latest_py3.11_extras.txt
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pip install sphinx
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pip install -e .
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- name: Build
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run: sphinx-build ./docs ./docs/_build
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- name: Deploy
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uses: peaceiris/actions-gh-pages@v3.8.0
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with:
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github_token: ${{ secrets.GH_TOKEN }}
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publish_dir: ./docs/_build
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runs-on: ubuntu-latest
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needs:
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- publish
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steps:
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- uses: actions/checkout@v4
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- uses: actions/setup-python@v5
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with:
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python-version: "3.11"
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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 -r requirements/requirements-ubuntu-latest_py3.11.txt
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pip install -r requirements/requirements-ubuntu-latest_py3.11_extras.txt
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pip install sphinx
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pip install -e .
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- name: Build docs
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run: sphinx-build ./docs ./docs/_build
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- name: Deploy docs
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uses: peaceiris/actions-gh-pages@v3.8.0
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with:
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github_token: ${{ secrets.GH_TOKEN }}
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publish_dir: ./docs/_build

‎MANIFEST.in‎

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graft src/atomicds
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include src/atomicds/streaming/Cargo.toml
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recursive-include src/atomicds/streaming/src *.rs
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prune src/atomicds/streaming/target
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prune **/target

‎docs/conf.py‎

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# https://www.sphinx-doc.org/en/master/usage/configuration.html#project-information
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project = "atomicds"
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copyright = "2024, Atomic Data Sciences"
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author = "Atomic Data Sciences"
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release = "2024"
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copyright = "2025, Atomscale"
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author = "Atomscale"
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release = "2025"
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# -- General configuration ---------------------------------------------------
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# https://www.sphinx-doc.org/en/master/usage/configuration.html#general-configuration
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html_theme_options = {
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"github_button": True,
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"github_type": "star&v=2",
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"github_user": "artificial-atomic-intelligence",
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"github_user": "atomic-data-sciences",
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"github_repo": "api-client",
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"github_banner": True,
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}
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(
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master_doc,
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"atomicds",
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"Atomic Data Sciences API Client Documentation",
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"Atomscale API Client Documentation",
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[author],
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1,
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)
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(
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master_doc,
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"atomicds",
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"Atomic Data Sciences API Client Documentation",
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"Atomscale API Client Documentation",
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author,
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"atomicds",
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"Atomic Data Sciences API.",
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"Atomscale API.",
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"",
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),
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]

‎docs/index.rst‎

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Welcome to the **atomicds** code documentation!
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===============================================
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**atomicds** contains the core client implementation for the Atomic Data Sciences API client.
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**atomicds** contains the core client implementation for the Atomscale API client.
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This is intended to be barebones documentation for the client classes and their methods.
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For more comprehensive documentation `see the main updated documentation <https://docs.atomicdatasciences.com/>`_.
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For more comprehensive documentation `see the main updated documentation <https://docs.atomscale.ai/>`_.
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Support
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-------
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If you are having issues, please let us know through `github <https://github.com/artificial-atomic-intelligence/api-client>`_ or through emailing support@atomicdatasciences.com.
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If you are having issues, please let us know through `github <https://github.com/atomic-data-sciences/api-client>`_ or through emailing support@atomscale.ai.
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Contents
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--------

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