Gentoo Portage Overlays - dev-python/pysisyphus

dev-python/pysisyphus

Python suite for exploring potential energy surfaces.

Screenshots

https://github.com/eljost/pysisyphus

pysisyphus-1.0.0

~amd64 ~x86

doc full test python_targets_python3_11 python_targets_python3_12 python_targets_python3_13 python_targets_python3_14

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Browse License: GNU General Public License v3 GPLv3

Overlay: pypi

ChangeLog USE Flags Dependencies Reverse Deps Related Bugs

Runtime Dependencies

pysisyphus-1.0.0

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

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

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

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

dev-python/jinja2[python_targets_python3_11
      (-)
?
,python_targets_python3_12
      (-)
?
,python_targets_python3_13
      (-)
?
,python_targets_python3_14
      (-)
?
]

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

full?
      ( dev-python/pytest-cov[python_targets_python3_11
            (-)
      ?
,python_targets_python3_12
            (-)
      ?
,python_targets_python3_13
            (-)
      ?
,python_targets_python3_14
            (-)
      ?
] )

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

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

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

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

doc?
      ( <=dev-python/sphinx-8.2.0[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/sphinx-autodoc-typehints[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 )