Re: [Rdkit-discuss] Compilation problems on Linux

2020-04-17 Thread Max Pinheiro Jr
Hi Francois, Thank you for your suggestions! Sorry, I forgot to mention that Paolo had already helped me to fix the problem. It was simple to solve, RDKit was using the older gcc version installed in the system although I have loaded the newest one using the module load command. So the trick just

Re: [Rdkit-discuss] Compilation problems on Linux

2020-04-16 Thread Francois Berenger
Hi Max, Not sure if it will help, but on Debian and Ubuntu you need the following system packages to be installed in order to compile rdkit: curl wget libboost-all-dev cmake git g++ libeigen3-dev python3 libpython3-all-dev python3-numpy python3-pip python3-pil python3-six python3-pandas What

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 th

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 can

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 t

[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 t