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{
lib,
buildPythonPackage,
fetchFromGitHub,
nodejs,
notebook,
ipywidgets,
ipykernel,
numpy,
runCommand,
jupyter-packaging,
jupyter-core,
notebook-shim,
setuptools-scm,
writableTmpDirAsHomeHook,
pytestCheckHook,
mock,
pillow,
ase,
}:
let
nodeModules = runCommand "nglview-node-modules" { } ''
mkdir -p $out/node_modules/@jupyter-widgets/base
cat > $out/node_modules/@jupyter-widgets/base/package.json <<EOF
{
"name": "@jupyter-widgets/base",
"version": "4.1.1",
"main": "lib/index.js"
}
EOF
'';
in
buildPythonPackage rec {
pname = "nglview";
version = "3.1.4";
pyproject = true;
src = fetchFromGitHub {
owner = "nglviewer";
repo = "nglview";
tag = "v${version}";
hash = "sha256-QY7rn6q67noWeoLn0RU2Sn5SeJON+Br/j+aNMlK1PDo=";
};
build-system = [
nodejs
jupyter-packaging
jupyter-core
notebook-shim
setuptools-scm
writableTmpDirAsHomeHook
];
dependencies = [
notebook
ipywidgets
ipykernel
numpy
];
preBuild = ''
cd js
cp -r ${nodeModules}/node_modules .
cd ..
'';
pythonImportsCheck = [ "nglview" ];
nativeCheckInputs = [
pytestCheckHook
mock
pillow
ase
];
disabledTests = [
# requires parmed
"test_show_schrodinger"
# requires older moviepy
"test_movie_maker"
];
postInstall = ''
mkdir -p $out/share/jupyter/nbextensions
cp -r nglview/static $out/share/jupyter/nbextensions/nglview-js-widgets
'';
meta = {
description = "IPython/Jupyter widget to interactively view molecular structures and trajectories";
homepage = "https://github.com/nglviewer/nglview";
changelog = "https://github.com/nglviewer/nglview/releases/tag/v${version}";
license = lib.licenses.mit;
maintainers = with lib.maintainers; [ guelakais ];
};
}
|
