Gentoo Portage Overlays - dev-python/qmflows

dev-python/qmflows

Automation of computations in quantum chemistry.

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https://github.com/SCM-NV/qmflows

qmflows-1.0.0

~amd64 ~x86

doc lint test test-no-optional python_targets_python3_11 python_targets_python3_12 python_targets_python3_13 python_targets_python3_14

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Browse License: QMFlows is an Open Source project supported by the VU University Amsterdam, the Netherlands eScience Center NLeSC and Software for Chemistry & Materials BV SCM, and previously known as Scientific Computing & Modelling NV. The terms of the [LGPL-3.0 license]* apply. As an exception to the LGPL-3.0 license, you agree to grant SCM a [BSD 3-Clause license]** to the contributions you commit on this Github or provide to SCM in another manner. * https://opensource.org/licenses/LGPL-3.0 ** https://opensource.org/licenses/BSD-3-Clause [LGPL-3.0 license]: https://opensource.org/licenses/LGPL-3.0 LGPL-3.0 license [BSD 3-Clause license]: https://opensource.org/licenses/BSD-3-Clause BSD 3-Clause license

Overlay: pypi

ChangeLog USE Flags Dependencies Reverse Deps Related Bugs

Runtime Dependencies

qmflows-1.0.0

dev-python/more-itertools[python_targets_python3_11
      (-)
?
,python_targets_python3_12
      (-)
?
,python_targets_python3_13
      (-)
?
,python_targets_python3_14
      (-)
?
]

dev-python/h5py[python_targets_python3_11
      (-)
?
,python_targets_python3_12
      (-)
?
,python_targets_python3_13
      (-)
?
,python_targets_python3_14
      (-)
?
]

<dev-python/numpy-2.0[python_targets_python3_11
      (-)
?
,python_targets_python3_12
      (-)
?
,python_targets_python3_13
      (-)
?
,python_targets_python3_14
      (-)
?
]

dev-python/pandas[python_targets_python3_11
      (-)
?
,python_targets_python3_12
      (-)
?
,python_targets_python3_13
      (-)
?
,python_targets_python3_14
      (-)
?
]

dev-python/noodles[python_targets_python3_11
      (-)
?
,python_targets_python3_12
      (-)
?
,python_targets_python3_13
      (-)
?
,python_targets_python3_14
      (-)
?
]

dev-python/plams[python_targets_python3_11
      (-)
?
,python_targets_python3_12
      (-)
?
,python_targets_python3_13
      (-)
?
,python_targets_python3_14
      (-)
?
]

<dev-python/pyparsing-3.1.0[python_targets_python3_11
      (-)
?
,python_targets_python3_12
      (-)
?
,python_targets_python3_13
      (-)
?
,python_targets_python3_14
      (-)
?
]

>=dev-python/pyyaml-5.1[python_targets_python3_11
      (-)
?
,python_targets_python3_12
      (-)
?
,python_targets_python3_13
      (-)
?
,python_targets_python3_14
      (-)
?
]

dev-python/filelock[python_targets_python3_11
      (-)
?
,python_targets_python3_12
      (-)
?
,python_targets_python3_13
      (-)
?
,python_targets_python3_14
      (-)
?
]

>=dev-python/packaging-1.16.8[python_targets_python3_11
      (-)
?
,python_targets_python3_12
      (-)
?
,python_targets_python3_13
      (-)
?
,python_targets_python3_14
      (-)
?
]

doc?
      ( <dev-python/sphinx-7.0[python_targets_python3_11
            (-)
      ?
,python_targets_python3_12
            (-)
      ?
,python_targets_python3_13
            (-)
      ?
,python_targets_python3_14
            (-)
      ?
] )

doc?
      ( dev-python/sphinx-autodoc-typehints[python_targets_python3_11
            (-)
      ?
,python_targets_python3_12
            (-)
      ?
,python_targets_python3_13
            (-)
      ?
,python_targets_python3_14
            (-)
      ?
] )

doc?
      ( dev-python/sphinx-rtd-theme[python_targets_python3_11
            (-)
      ?
,python_targets_python3_12
            (-)
      ?
,python_targets_python3_13
            (-)
      ?
,python_targets_python3_14
            (-)
      ?
] )

doc?
      ( dev-python/nbsphinx[python_targets_python3_11
            (-)
      ?
,python_targets_python3_12
            (-)
      ?
,python_targets_python3_13
            (-)
      ?
,python_targets_python3_14
            (-)
      ?
] )

doc?
      ( dev-python/jupyter[python_targets_python3_11
            (-)
      ?
,python_targets_python3_12
            (-)
      ?
,python_targets_python3_13
            (-)
      ?
,python_targets_python3_14
            (-)
      ?
] )

doc?
      ( dev-python/pandoc[python_targets_python3_11
            (-)
      ?
,python_targets_python3_12
            (-)
      ?
,python_targets_python3_13
            (-)
      ?
,python_targets_python3_14
            (-)
      ?
] )

lint?
      ( dev-python/flake8[python_targets_python3_11
            (-)
      ?
,python_targets_python3_12
            (-)
      ?
,python_targets_python3_13
            (-)
      ?
,python_targets_python3_14
            (-)
      ?
] )

lint?
      ( dev-python/pydocstyle[python_targets_python3_11
            (-)
      ?
,python_targets_python3_12
            (-)
      ?
,python_targets_python3_13
            (-)
      ?
,python_targets_python3_14
            (-)
      ?
] )

lint?
      ( dev-python/Flake8-pyproject[python_targets_python3_11
            (-)
      ?
,python_targets_python3_12
            (-)
      ?
,python_targets_python3_13
            (-)
      ?
,python_targets_python3_14
            (-)
      ?
] )

lint?
      ( dev-python/mypy[python_targets_python3_11
            (-)
      ?
,python_targets_python3_12
            (-)
      ?
,python_targets_python3_13
            (-)
      ?
,python_targets_python3_14
            (-)
      ?
] )

lint?
      ( dev-python/types-PyYAML[python_targets_python3_11
            (-)
      ?
,python_targets_python3_12
            (-)
      ?
,python_targets_python3_13
            (-)
      ?
,python_targets_python3_14
            (-)
      ?
] )

lint?
      ( dev-python/types-setuptools[python_targets_python3_11
            (-)
      ?
,python_targets_python3_12
            (-)
      ?
,python_targets_python3_13
            (-)
      ?
,python_targets_python3_14
            (-)
      ?
] )

lint?
      ( >=dev-python/pytest-6.0[python_targets_python3_11
            (-)
      ?
,python_targets_python3_12
            (-)
      ?
,python_targets_python3_13
            (-)
      ?
,python_targets_python3_14
            (-)
      ?
] )

test?
      ( dev-python/qmflows[python_targets_python3_11
            (-)
      ?
,python_targets_python3_12
            (-)
      ?
,python_targets_python3_13
            (-)
      ?
,python_targets_python3_14
            (-)
      ?
] )

test?
      ( dev-python/rdkit[python_targets_python3_11
            (-)
      ?
,python_targets_python3_12
            (-)
      ?
,python_targets_python3_13
            (-)
      ?
,python_targets_python3_14
            (-)
      ?
] )

test-no-optional?
      ( dev-python/AssertionLib[python_targets_python3_11
            (-)
      ?
,python_targets_python3_12
            (-)
      ?
,python_targets_python3_13
            (-)
      ?
,python_targets_python3_14
            (-)
      ?
] )

test-no-optional?
      ( >=dev-python/pytest-6.0[python_targets_python3_11
            (-)
      ?
,python_targets_python3_12
            (-)
      ?
,python_targets_python3_13
            (-)
      ?
,python_targets_python3_14
            (-)
      ?
] )

test-no-optional?
      ( dev-python/pytest-cov[python_targets_python3_11
            (-)
      ?
,python_targets_python3_12
            (-)
      ?
,python_targets_python3_13
            (-)
      ?
,python_targets_python3_14
            (-)
      ?
] )

test-no-optional?
      ( dev-python/pytest-mock[python_targets_python3_11
            (-)
      ?
,python_targets_python3_12
            (-)
      ?
,python_targets_python3_13
            (-)
      ?
,python_targets_python3_14
            (-)
      ?
] )

test-no-optional?
      ( dev-python/typing-extensions[python_targets_python3_11
            (-)
      ?
,python_targets_python3_12
            (-)
      ?
,python_targets_python3_13
            (-)
      ?
,python_targets_python3_14
            (-)
      ?
] )

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 )

python_targets_python3_14?
      ( dev-lang/python:3.14 )