99 lines
1.9 KiB
Nix
99 lines
1.9 KiB
Nix
{
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lib,
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buildPythonPackage,
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pythonOlder,
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fetchFromGitHub,
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nodejs,
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notebook,
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ipywidgets,
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ipykernel,
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numpy,
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runCommand,
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jupyter-packaging,
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jupyter-core,
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notebook-shim,
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setuptools-scm,
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writableTmpDirAsHomeHook,
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pytestCheckHook,
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mock,
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pillow,
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ase,
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}:
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let
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nodeModules = runCommand "nglview-node-modules" { } ''
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mkdir -p $out/node_modules/@jupyter-widgets/base
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cat > $out/node_modules/@jupyter-widgets/base/package.json <<EOF
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{
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"name": "@jupyter-widgets/base",
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"version": "4.1.1",
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"main": "lib/index.js"
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}
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EOF
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'';
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in
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buildPythonPackage rec {
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pname = "nglview";
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version = "3.1.4";
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pyproject = true;
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disabled = pythonOlder "3.7";
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src = fetchFromGitHub {
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owner = "nglviewer";
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repo = "nglview";
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tag = "v${version}";
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hash = "sha256-QY7rn6q67noWeoLn0RU2Sn5SeJON+Br/j+aNMlK1PDo=";
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};
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build-system = [
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nodejs
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jupyter-packaging
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jupyter-core
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notebook-shim
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setuptools-scm
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writableTmpDirAsHomeHook
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];
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dependencies = [
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notebook
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ipywidgets
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ipykernel
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numpy
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];
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preBuild = ''
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cd js
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cp -r ${nodeModules}/node_modules .
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cd ..
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'';
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pythonImportsCheck = [ "nglview" ];
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nativeCheckInputs = [
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pytestCheckHook
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mock
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pillow
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ase
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];
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disabledTests = [
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# requires parmed
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"test_show_schrodinger"
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# requires older moviepy
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"test_movie_maker"
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];
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postInstall = ''
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mkdir -p $out/share/jupyter/nbextensions
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cp -r nglview/static $out/share/jupyter/nbextensions/nglview-js-widgets
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'';
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meta = {
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description = "IPython/Jupyter widget to interactively view molecular structures and trajectories";
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homepage = "https://github.com/nglviewer/nglview";
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changelog = "https://github.com/nglviewer/nglview/releases/tag/v${version}";
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license = lib.licenses.mit;
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maintainers = with lib.maintainers; [ guelakais ];
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};
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}
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