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dev-python/qcengine

A compute wrapper for Quantum Chemistry.

Screenshots

  • qcengine-0.34.0
    ~amd64 ~x86
    docs lint tests python_targets_python3_11 python_targets_python3_12 python_targets_python3_13

    View      Download      Browse     License: BSD-3C   
    Overlay: pypi

Runtime Dependencies

qcengine-0.34.0




dev-python/pyyaml[python_targets_python3_11
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,python_targets_python3_12
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,python_targets_python3_13
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]



dev-python/py-cpuinfo[python_targets_python3_11
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,python_targets_python3_12
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,python_targets_python3_13
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]



dev-python/psutil[python_targets_python3_11
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,python_targets_python3_12
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,python_targets_python3_13
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]



dev-python/qcelemental[python_targets_python3_11
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,python_targets_python3_12
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,python_targets_python3_13
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]



>=dev-python/pydantic-1.8.2[python_targets_python3_11
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,python_targets_python3_12
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,python_targets_python3_13
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]



dev-python/packaging[python_targets_python3_11
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,python_targets_python3_12
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,python_targets_python3_13
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]

docs?
      ( ~dev-python/sphinx-1.2.3[python_targets_python3_11
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,python_targets_python3_12
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,python_targets_python3_13
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] )

docs?
      ( dev-python/sphinxcontrib-napoleon[python_targets_python3_11
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,python_targets_python3_12
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,python_targets_python3_13
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] )

docs?
      ( dev-python/sphinx-rtd-theme[python_targets_python3_11
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,python_targets_python3_12
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      ?
,python_targets_python3_13
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] )

docs?
      ( dev-python/numpydoc[python_targets_python3_11
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,python_targets_python3_12
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      ?
,python_targets_python3_13
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] )

tests?
      ( dev-python/pytest[python_targets_python3_11
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,python_targets_python3_12
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      ?
,python_targets_python3_13
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] )

tests?
      ( dev-python/pytest-cov[python_targets_python3_11
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,python_targets_python3_12
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,python_targets_python3_13
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] )

lint?
      ( <dev-python/black-23.0_alpha0[python_targets_python3_11
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,python_targets_python3_12
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      ?
,python_targets_python3_13
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] )

python_targets_python3_11?
      ( dev-lang/python:3.11 )

python_targets_python3_12?
      ( dev-lang/python:3.12 )

python_targets_python3_13?
      ( dev-lang/python:3.13 )