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python${{ matrix.python-version }} -m pip install -r requirements/ubuntu-latest_py${{ matrix.python-version }}_extras.txt
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python${{ matrix.python-version }} -m pip install --upgrade pip
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python${{ matrix.python-version }} -m pip install --no-deps .[server,test]
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- python${{ matrix.python-version }} -m pip install lobsterpy
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- name : Test modules
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run : python${{ matrix.python-version }} -m pytest --cov=crystal_toolkit --cov-report=xml tests
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- name : Test example apps
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BandstructureAndDosComponent ,
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BandstructureAndDosPanelComponent ,
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)
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-
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- # from crystal_toolkit.components.transformations.rattle import (
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- # MonteCarloRattleTransformationComponent,
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- # )
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- from crystal_toolkit .components .cohp import CohpAndDosComponent
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from crystal_toolkit .components .diffraction import XRayDiffractionComponent
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from crystal_toolkit .components .diffraction_tem import TEMDiffractionComponent
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from crystal_toolkit .components .fermi_surface import FermiSurfaceComponent
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from crystal_toolkit .components .transformations .grainboundary import (
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GrainBoundaryTransformationComponent ,
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)
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+
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+ # from crystal_toolkit.components.transformations.rattle import (
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+ # MonteCarloRattleTransformationComponent,
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+ # )
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from crystal_toolkit .components .transformations .slab import SlabTransformationComponent
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from crystal_toolkit .components .transformations .substitution import (
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SubstitutionTransformationComponent ,
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