[Rdkit-discuss] Compilation problems on Linux

2020-04-15 Thread Max Pinheiro Jr
Dear all, I have exhaustively tried to compile rdkit (latest git version) on a Linux cluster but the compilation process was always failing at the same point with an error message related to the boost library. After searching in the forum, the only way I could surpass the problem and finally get

Re: [Rdkit-discuss] Compilation problems on Linux

2020-04-15 Thread Paolo Tosco
Hi Max, you mention you are using gcc-8.1 and Boost 1.67. Did you compile Boost with the same compiler or was it compiled with an earlier version of gcc/g++? If Boost was compiled with an earlier version of gcc/g++, you will need to add to /home/mpinheiro/codes/rdkit-2020.09/CMakeLists.txt

Re: [Rdkit-discuss] Compilation problems on Linux

2020-04-15 Thread Paolo Tosco
Hi Max, please share the cmake/make outputs with me off-list and I'll try to help. Cheers, p. On 15/04/2020 17:33, Max Pinheiro Jr wrote: Hi Paolo, Thank you for your quite fast answer! Yes, I compiled Boost 1.67 using the same gcc version, 8.1. I have seen this GLIBCXX possible solution

Re: [Rdkit-discuss] Compilation problems on Linux

2020-04-15 Thread Max Pinheiro Jr
Hi Paolo, Thank you for your quite fast answer! Yes, I compiled Boost 1.67 using the same gcc version, 8.1. I have seen this GLIBCXX possible solution that you have commented before, and I also tried that but didn't work anyway, I got the same problem with the Boost library and the compilation

Re: [Rdkit-discuss] compile py wrappers with vcpkg boost 1.72

2020-04-15 Thread Alan Kerstjens Medina
Hello Rasmus, I too had this problem a while ago while trying to build the RDKit on Windows, but since I was only interested in the C++ API I gave up on the Python wrappers altogether. Since this is somewhat related, I’m seizing the opportunity for a suggestion: given how convenient it is to