diff --git a/pkgs/development/libraries/coordgenlibs/default.nix b/pkgs/development/libraries/coordgenlibs/default.nix index 1d89025a51fa..4febe03ef04d 100644 --- a/pkgs/development/libraries/coordgenlibs/default.nix +++ b/pkgs/development/libraries/coordgenlibs/default.nix @@ -7,23 +7,31 @@ , maeparser }: -stdenv.mkDerivation rec { +stdenv.mkDerivation (finalAttrs: { pname = "coordgenlibs"; version = "3.0.2"; src = fetchFromGitHub { owner = "schrodinger"; - repo = pname; - rev = "v${version}"; - sha256 = "sha256-casFPNbPv9mkKpzfBENW7INClypuCO1L7clLGBXvSvI="; + repo = "coordgenlibs"; + rev = "v${finalAttrs.version}"; + hash = "sha256-casFPNbPv9mkKpzfBENW7INClypuCO1L7clLGBXvSvI="; }; nativeBuildInputs = [ cmake ]; buildInputs = [ boost zlib maeparser ]; + env = lib.optionalAttrs stdenv.cc.isClang { + NIX_CFLAGS_COMPILE = "-Wno-unused-but-set-variable"; + }; + + doCheck = true; + meta = with lib; { description = "Schrodinger-developed 2D Coordinate Generation"; + homepage = "https://github.com/schrodinger/coordgenlibs"; + changelog = "https://github.com/schrodinger/coordgenlibs/releases/tag/${finalAttrs.version}"; maintainers = [ maintainers.rmcgibbo ]; license = licenses.bsd3; }; -} +}) diff --git a/pkgs/development/python-modules/rdkit/default.nix b/pkgs/development/python-modules/rdkit/default.nix index 56cca6c1af85..7d0632ebc836 100644 --- a/pkgs/development/python-modules/rdkit/default.nix +++ b/pkgs/development/python-modules/rdkit/default.nix @@ -5,7 +5,7 @@ , cmake , comic-neue , boost -, catch2 +, catch2_3 , inchi , cairo , eigen @@ -42,8 +42,8 @@ let in buildPythonPackage rec { pname = "rdkit"; - version = "2023.09.1"; - format = "other"; + version = "2023.09.3"; + pyproject = false; src = let @@ -53,7 +53,7 @@ buildPythonPackage rec { owner = pname; repo = pname; rev = "Release_${versionTag}"; - hash = "sha256-qaYD/46oCTnso1FbD08zr2JuatKmSSqNBhOYlfeIiAA="; + hash = "sha256-bewOdmpnm6cArD5iaMKNqT8z4GUIpih+JzJ+wdo/lrI="; }; unpackPhase = '' @@ -84,6 +84,7 @@ buildPythonPackage rec { buildInputs = [ boost cairo + catch2_3 ] ++ lib.optionals (stdenv.system == "x86_64-darwin") [ memorymappingHook ]; @@ -109,7 +110,6 @@ buildPythonPackage rec { ''; cmakeFlags = [ - "-DCATCH_DIR=${catch2}/include/catch2" "-DINCHI_LIBRARY=${inchi}/lib/libinchi.so" "-DINCHI_LIBRARIES=${inchi}/lib/libinchi.so" "-DINCHI_INCLUDE_DIR=${inchi}/include/inchi"