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dev-python/pyxtal

Python code for generation of crystal structures based on symmetry constraints.

Screenshots

  • pyxtal-1.1.2
    ~amd64 ~x86
    descriptor molecules test visualization python_targets_python3_11 python_targets_python3_12 python_targets_python3_13 python_targets_python3_14

    View      Download      Browse     License: MIT   
    Overlay: pypi

Runtime Dependencies

pyxtal-1.1.2





dev-python/spglib[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_14
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]




dev-python/pymatgen[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_14
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]




>=dev-python/pandas-2.0.2[python_targets_python3_11
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,python_targets_python3_12
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,python_targets_python3_13
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,python_targets_python3_14
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]




>=dev-python/networkx-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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,python_targets_python3_14
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]




dev-python/ase[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_14
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]




>=dev-python/scipy-1.7.3[python_targets_python3_11
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,python_targets_python3_12
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,python_targets_python3_13
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,python_targets_python3_14
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]




dev-python/vasprun-xml[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_14
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]




>=dev-python/importlib-metadata-1.4[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_14
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]




>=dev-python/typing-extensions-4.12[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_14
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]




dev-python/pyocse[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_14
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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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,python_targets_python3_14
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]

visualization?
      ( dev-python/py3Dmol[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_14
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] )

descriptor?
      ( dev-python/pyshtools[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_14
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] )

molecules?
      ( dev-python/openbabel[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_14
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] )

molecules?
      ( dev-python/pybel[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_14
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] )

test?
      ( dev-python/wheel[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_14
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] )

test?
      ( 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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,python_targets_python3_14
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] )

test?
      ( dev-python/coverage[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_14
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] )

test?
      ( 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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,python_targets_python3_14
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] )

test?
      ( dev-python/monty[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_14
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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 )

python_targets_python3_14?
      ( dev-lang/python:3.14 )