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Nix
at master
12345678910111213141516171819202122232425262728293031323334353637383940414243444546474849505152535455565758596061626364656667686970717273747576{ lib, buildPythonPackage, fetchPypi, pythonRelaxDepsHook, notebook, ipywidgets, ipykernel, numpy, jupyter-packaging, jupyter-core, notebook-shim, setuptools-scm, writableTmpDirAsHomeHook, pytestCheckHook, mock, pillow, ase,}:buildPythonPackage rec { pname = "nglview"; version = "4.0"; pyproject = true;
src = fetchPypi { inherit pname version; hash = "sha256-LAz/LFseKgpy4zkwh85ErgMIUkxapflTV4EtPtvCboM="; };
nativeBuildInputs = [ pythonRelaxDepsHook ];
# NGLview demands numpy < 2.3, but nixpkgs ships >= 2.4 pythonRelaxDeps = [ "numpy" ];
build-system = [ jupyter-packaging jupyter-core notebook-shim setuptools-scm writableTmpDirAsHomeHook ];
dependencies = [ notebook ipywidgets ipykernel numpy ];
pythonImportsCheck = [ "nglview" ];
nativeCheckInputs = [ pytestCheckHook mock pillow ase ];
disabledTests = [ # requires parmed "test_show_schrodinger" # requires older moviepy "test_movie_maker" ];
meta = { description = "IPython/Jupyter widget to interactively view molecular structures and trajectories"; homepage = "https://github.com/nglviewer/nglview"; changelog = "https://github.com/nglviewer/nglview/releases/tag/v${version}"; license = lib.licenses.mit; maintainers = with lib.maintainers; [ guelakais ]; };}