push sheeet

pkgs/development/python-modules/meeko/default.nix

@@ -0,0 +1,46 @@
+{
+  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 ];
+  };
+}