···

       
40
       
40
       
 
       
in

     

       
41
       
41
       
 
       
buildPythonPackage rec {

     

       
42
       
42
       
 
       
  pname = "rdkit";

     

       
43
       
43
       
-
       
  version = "2022.09.1";

     

       
43
       
43
       
+
       
  version = "2022.09.5";

     

       
44
       
44
       
 
       
  format = "other";

     

       
45
       
45
       
 
       


     

       
46
       
46
       
 
       
  src =

     
···

       
51
       
51
       
 
       
      owner = pname;

     

       
52
       
52
       
 
       
      repo = pname;

     

       
53
       
53
       
 
       
      rev = "Release_${versionTag}";

     

       
54
       
54
       
-
       
      hash = "sha256-AaawjCv3/ShByOKU0c37/hjuyfD7NhFC8UngDoG7C0s=";

     

       
54
       
54
       
+
       
      hash = "sha256-zsiH4gNCAeXDLjHhDsKwZMkTvVCWG9LwAaEKNOuqV2Q=";

     

       
55
       
55
       
 
       
    };

     

       
56
       
56
       
 
       


     

       
57
       
57
       
 
       
  unpackPhase = ''

     
···

       
59
       
59
       
 
       
    find . -type d -exec chmod +w {} +

     

       
60
       
60
       
 
       


     

       
61
       
61
       
 
       
    mkdir External/AvalonTools/avalon

     

       
62
       
62
       
-
       
    ln -s ${external.avalon}/* External/AvalonTools/avalon

     

       
62
       
62
       
+
       
    # In buildPhase, CMake patches the file in this directory

     

       
63
       
63
       
+
       
    # see https://github.com/rdkit/rdkit/pull/5928

     

       
64
       
64
       
+
       
    cp -r ${external.avalon}/* External/AvalonTools/avalon

     

       
63
       
65
       
 
       


     

       
64
       
66
       
 
       
    mkdir External/YAeHMOP/yaehmop

     

       
65
       
67
       
 
       
    ln -s ${external.yaehmop}/* External/YAeHMOP/yaehmop