Gentoo Portage Overlays - dev-python/equilibrator-cheminfo

dev-python/equilibrator-cheminfo

Light adapter classes around Open Babel, RDKit, and ChemAxon for the functionality needed in eQulibrator.

Screenshots

https://gitlab.com/equilibrator/equilibrator-cheminfo

equilibrator-cheminfo-0.15.0

~amd64 ~x86

chemaxon development openbabel rdkit python_targets_python3_11 python_targets_python3_12 python_targets_python3_13 python_targets_python3_14

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Browse License: Apache-2.0

Overlay: pypi

ChangeLog USE Flags Dependencies Reverse Deps Related Bugs

Runtime Dependencies

equilibrator-cheminfo-0.15.0

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

~dev-python/numpy-1.17[python_targets_python3_11
      (-)
?
,python_targets_python3_12
      (-)
?
,python_targets_python3_13
      (-)
?
,python_targets_python3_14
      (-)
?
]

~dev-python/pandas-1.2[python_targets_python3_11
      (-)
?
,python_targets_python3_12
      (-)
?
,python_targets_python3_13
      (-)
?
,python_targets_python3_14
      (-)
?
]

~dev-python/sqlalchemy-1.4[python_targets_python3_11
      (-)
?
,python_targets_python3_12
      (-)
?
,python_targets_python3_13
      (-)
?
,python_targets_python3_14
      (-)
?
]

~dev-python/tqdm-4.60[python_targets_python3_11
      (-)
?
,python_targets_python3_12
      (-)
?
,python_targets_python3_13
      (-)
?
,python_targets_python3_14
      (-)
?
]

chemaxon?
      ( dev-python/jpype1[python_targets_python3_11
            (-)
      ?
,python_targets_python3_12
            (-)
      ?
,python_targets_python3_13
            (-)
      ?
,python_targets_python3_14
            (-)
      ?
] )

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

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

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

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

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

rdkit?
      ( dev-python/rdkit-pypi[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 )