2024-06-05 15:53:02 +00:00
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{
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lib,
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buildPythonPackage,
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fetchFromBitbucket,
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h5py,
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termcolor,
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pexpect,
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jinja2,
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sphinxHook,
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sphinx-rtd-theme,
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2023-07-15 17:15:38 +00:00
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}:
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buildPythonPackage {
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pname = "pylion";
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version = "0.5.3";
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format = "setuptools";
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src = fetchFromBitbucket {
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owner = "dtrypogeorgos";
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repo = "pylion";
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# Version is set in setup.cfg, but not in a git tag / bitbucket release
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rev = "3e6b96b542b97107c622d66b0be0551c3bd9f948";
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hash = "sha256-c0UOv2Vlv9wJ6YW+QdHinhpdaclUh3As5TDvyoRhpSI=";
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};
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# Docs are not available online, besides the article:
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# http://dx.doi.org/10.1016/j.cpc.2020.107187
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nativeBuildInputs = [
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sphinxHook
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sphinx-rtd-theme
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];
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propagatedBuildInputs = [
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h5py
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termcolor
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pexpect
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jinja2
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];
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pythonImportsCheck = [ "pylion" ];
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# Tests fail from some reason - some files seem to be missing from the repo.
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doCheck = false;
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postInstall = ''
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mkdir -p $out/share/doc/$name
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cp -r examples $out/share/doc/$name/examples
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'';
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meta = with lib; {
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description = "A LAMMPS wrapper for molecular dynamics simulations of trapped ions";
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homepage = "https://bitbucket.org/dtrypogeorgos/pylion";
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license = licenses.mit;
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maintainers = with maintainers; [ doronbehar ];
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};
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}
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