Re: [Rdkit-discuss] minGW fails to build rdkit

2016-12-20 Thread Paul Emsley
On 20/12/16 15:13, Yingfeng Wang wrote: > Paolo, > > Thanks. I figure out this problem. The new cmake command is > > cmake -DCMAKE_C_COMPILER=gcc -DCMAKE_CXX_COMPILER=g++ > -DMSVC_RUNTIME_DLL=C:/Windows/System32/msvcr100.dll > -DRDK_USE_BOOST_SERIALIZATION=OFF -DBOOST_ROOT=C:/boost >

Re: [Rdkit-discuss] minGW fails to build rdkit

2016-12-20 Thread Yingfeng Wang
Paolo, Thanks. I figure out this problem. The new cmake command is cmake -DCMAKE_C_COMPILER=gcc -DCMAKE_CXX_COMPILER=g++ -DMSVC_RUNTIME_DLL=C:/Windows/System32/msvcr100.dll -DRDK_USE_BOOST_SERIALIZATION=OFF -DBOOST_ROOT=C:/boost -DCMAKE_INSTALL_PREFIX=C:/software/RDKit/install_2016_09_2

Re: [Rdkit-discuss] multiline legend in MolsToGridImage

2016-12-20 Thread Pavel Polishchuk
Thank you, that helped! I noticed that I need to substantially increase the height of the image to make the second line visible. If I'll want to draw more lined I should increase the height further. Pavel. On 12/20/2016 03:14 PM, Peter Gedeck wrote: Hello, I thought we had removed all of

Re: [Rdkit-discuss] minGW fails to build rdkit

2016-12-20 Thread Paolo Tosco
Dear Yingfeng, I can build the latest RDKIt trunk from a MSYS2 shell using the following cmake command: cmake -DEIGEN3_INCLUDE_DIR=/c/build/include/eigen3 -DBOOST_LIBRARYDIR=/mingw64/bin -DBOOST_ROOT=/mingw64 -DPYTHON_NUMPY_INCLUDE_PATH=/mingw64/include/python2.7