[Rdkit-devel] The RDKit and modern C++ (finally)

2017-04-27 Thread Greg Landrum
Dear all, Now that the 2017_03 release cycle has started, I am *finally* ready to start the modern C++ work that I've discussed before. Here's a blog post on the topic: https://medium.com/@greg.landrum_t5/the-rdkit-and-modern-c-48206b966218 To that end I created a new branch this morning: https:/

Re: [Rdkit-devel] The RDKit and modern C++

2015-05-14 Thread Gianluca Sforna
On Tue, May 12, 2015 at 1:40 PM, David Cosgrove wrote: > Hi Greg et al, > > You can increment by one the number of large organisations still not fully > converted to RH6! It's a real pain for me as a developer. I have been > unable to build the latest few releases of Qt 5 on a RH6 machine with th

Re: [Rdkit-devel] The RDKit and modern C++

2015-05-12 Thread David Cosgrove
Hi Greg et al, You can increment by one the number of large organisations still not fully converted to RH6! It's a real pain for me as a developer. I have been unable to build the latest few releases of Qt 5 on a RH6 machine with the system g++4.4, for example. However, my experience developing

[Rdkit-devel] The RDKit and modern C++

2015-05-11 Thread Greg Landrum
Dear all, I would like to start "allowing" the use of modern C++ (by which I mean C++ 11/14) in the RDKit. I think this is an important step both for code quality in the toolkit itself and for allowing us (the developers) to continue to learn and use modern tools. Who knows, it may even help with