Unverified Commit 101fe71a authored by Ryan Lahfa's avatar Ryan Lahfa Committed by GitHub
Browse files

Merge pull request #233370 from natsukium/python3Packages.rdkit/fix 

python3Packages.rdkit: fix python311 & x86_64-darwin
parents 6116759d 5f61ab39

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

+5 −1
Original line number Diff line number Diff line 
{ lib

, stdenv

, buildPythonPackage

, fetchFromGitHub

, cmake
@@ -15,6 +16,7 @@ 
, numpy

, pandas

, pillow

, memorymappingHook

}:

let

  external = {
@@ -82,6 +84,8 @@ buildPythonPackage rec { 
  buildInputs = [

    boost

    cairo

  ] ++ lib.optionals (stdenv.system == "x86_64-darwin") [

    memorymappingHook

  ];



  propagatedBuildInputs = [
@@ -149,7 +153,7 @@ buildPythonPackage rec { 


  meta = with lib; {

    description = "Open source toolkit for cheminformatics";

    maintainers = [ maintainers.rmcgibbo ];

    maintainers = with maintainers; [ rmcgibbo natsukium ];

    license = licenses.bsd3;

    homepage = "https://www.rdkit.org";

  };

pkgs/top-level/python-packages.nix

+6 −1
Original line number Diff line number Diff line
@@ -10353,7 +10353,12 @@ self: super: with self; { 


  rdflib = callPackage ../development/python-modules/rdflib { };



  rdkit = callPackage ../development/python-modules/rdkit { };

  rdkit = callPackage ../development/python-modules/rdkit {

    boost = pkgs.boost182.override {

      enablePython = true;

      inherit python;

    };

  };



  re-assert = callPackage ../development/python-modules/re-assert { };