Unverified Commit d8a844d0 authored by natsukium's avatar natsukium
Browse files

python311Packages.rdkit: 2023.03.3 -> 2023.09.1 

Diff: https://github.com/rdkit/rdkit/compare/Release_2023_03_3...Release_2023_09_1

Changelog: https://github.com/rdkit/rdkit/releases/tag/Release_2023_09_1
parent ce2c2b59

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

+7 −7
Original line number Diff line number Diff line
@@ -21,16 +21,16 @@ 
let

  external = {

    avalon = fetchFromGitHub {

      owner = "rohdebe1";

      owner = "rdkit";

      repo = "ava-formake";

      rev = "AvalonToolkit_2.0.4a";

      hash = "sha256-ZyhrDBBv9XuXe1NY/Djiad86tGIJwCSTrxEMICHgSqk=";

      rev = "AvalonToolkit_2.0.5-pre.3";

      hash = "sha256-2MuFZgRIHXnkV7Nc1da4fa7wDx57VHUtwLthrmjk+5o=";

    };

    yaehmop = fetchFromGitHub {

      owner = "greglandrum";

      repo = "yaehmop";

      rev = "v2022.09.1";

      hash = "sha256-QMnc5RyHlY3giw9QmrkGntiA+Srs7OhCIKs9GGo5DfQ=";

      rev = "v2023.03.1";

      hash = "sha256-K9//cDN69U4sLETfIZq9NUaBE3RXOReH53qfiCzutqM=";

    };

    freesasa = fetchFromGitHub {

      owner = "mittinatten";
@@ -42,7 +42,7 @@ let 
in

buildPythonPackage rec {

  pname = "rdkit";

  version = "2023.03.3";

  version = "2023.09.1";

  format = "other";



  src =
@@ -53,7 +53,7 @@ buildPythonPackage rec { 
      owner = pname;

      repo = pname;

      rev = "Release_${versionTag}";

      hash = "sha256-5M7nDUWORbepDGaf2G6Cd79Hu0au3DNRc9KuONoCWK0=";

      hash = "sha256-qaYD/46oCTnso1FbD08zr2JuatKmSSqNBhOYlfeIiAA=";

    };



  unpackPhase = ''