Greg Landrum

Please install the rdkit from conda-forge, not the RDKit channel. We are no longer keeping the release builds on the rdkit channel up to date.

not yet, and unfortunately I haven't been particularly good about keeping those builds up-to-date either

I was also totally unaware of it (it's new) until it came up on the mailing list. The version compatibility thing is a real concern. If we were to assume...

@rvianello Sorry, I missed this when it first came through. Can you try adding `-fpermissive` to the CXXFLAGS and see if that helps?

Another possibility may be to add `USE_BOOST_MULTIPRECISION_DEFAULT=0` to the environment before building. (I'm just googling around; I can't actually test this at the moment)

Maybe you may need to add the `USE_BOOST_MULTIPRECISION_DEFAULT=0` argument as a flag when you invoke CMAKE? The easiest way to quickly test adding `-fpermissive` is to edit the current build...

I believe that's because this formulation *overwrites* CXX_FLAGS_RELEASE instead of supplementing them, so you aren't compiling with full optimization. Please try: `-DCMAKE_CXX_FLAGS_RELEASE="-fpermissive -O3"` (I think that syntax is right)

As an FYI to be sure that something catastrophic hadn't happened with the release: The 2016_09_2 version of the RDKit does seem to be a bit slower than the 2016_03_4...

@rvianello : the immediately obvious way to do this would be to just directly match the version numbers in the `host` and `run` sections. Can you think of a better...

@markussitzmann : when I do a fresh build using the development branch of this recipe everything works fine. Here's what gets installed for me on a centos6 container: ``` (py36_rdkit)...