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