Re: [Rdkit-devel] More build fun with RHEL 6

2016-04-14 Thread Brian Kelley
gt; indicate that in the CMakeLists.txt, which claims to support back to boost > 1.39 with python2 and 1.45 with python3. > > I will take a look > > On Thu, Apr 14, 2016 at 12:58 PM, Brian Kelley <fustiga...@gmail.com> > wrote: > >> I think I have seen this before in FilterCat

Re: [Rdkit-devel] GenerateDepictionMatching3DStructure

2016-11-23 Thread Brian Kelley
There has been a bit of discussion about this anyway, I find the tutorial in the RDKit book is pretty good, but perhaps we can fill in the gaps here as well. In addition, I have a PR that makes the constrained depictions from distance matrices work with both the N**2 and diagonal (N*N-1)/2

Re: [Rdkit-devel] RDKit Python wrappers

2016-12-01 Thread Brian Kelley
you get a compile error, it is several pages long. While doing the same is possible in swig, it would require a serious rewriting that is one whole bunch of "not fun". ---- Brian Kelley > On Dec 1, 2016, at 12:39 PM, David Cosgrove <davidacosgrov...@gmail.com> > wrote: &g

Re: [Rdkit-devel] travis build timeouts

2017-06-13 Thread Brian Kelley
I tried using ninja for the builds in stead of make, after an evening of not building I successfully had two builds: https://travis-ci.org/bp-kelley/rdkit/builds/242399233 Commit: https://github.com/bp-kelley/rdkit/blob/baac00bc1eb7f66413011aed239413fe74da3388/.travis.yml Note that the default