Something went wrong. Try again.
What happens if I push all of nixpkgs
Something went wrong. Try again.
956 B · 46 lines
Nix
1234567891011121314151617181920212223242526272829303132333435363738394041424344454647{ lib, buildPythonPackage, fetchFromGitHub, gemmi, numpy, pytestCheckHook, pythonOlder, rdkit, scipy,}:
buildPythonPackage rec { pname = "meeko"; version = "0.6.1"; format = "setuptools";
disabled = pythonOlder "3.5";
src = fetchFromGitHub { owner = "forlilab"; repo = "Meeko"; tag = "v${version}"; hash = "sha256-ViIBiczwxTwraYn8UnFAZFCFT28v3WEYm04W2YpU/4g="; };
propagatedBuildInputs = [ # setup.py only requires numpy but others are needed at runtime gemmi numpy rdkit scipy ];
nativeCheckInputs = [ pytestCheckHook ];
pythonImportsCheck = [ "meeko" ];
meta = { description = "Python package for preparing small molecule for docking"; homepage = "https://github.com/forlilab/Meeko"; changelog = "https://github.com/forlilab/Meeko/releases/tag/${src.tag}"; license = lib.licenses.lgpl21Only; maintainers = with lib.maintainers; [ natsukium ]; };}