Greg Landrum
Greg Landrum
v1.61 (the conda version) works fine on: - windows (using vc2015) - centos6 - Mac
Na, the intention is just to simplify. :-)
v1.61 also seems to be somewhat problematic with gcc5.x (Ubuntu 16.04). The regex problem with the SLN library appears there
but I didn't yet try the conda version. I assume that has the same problem
I just tried the simple experiment of creating a python 3.8 environment, installing the rdkit from conda-forge (gets me v2020.09.4 of the RDKit), and then trying to install python3-saml. I...
yeah, I thought it was boost at first too, but I don't see how that can be true if python3-saml doesn't install boost: ``` base) glandrum@Badger:/scratch/RDKit_git/build$ conda create -n foo...
more data, ignoring the rdkit entirely, python3-saml will not install with `--strict-channel-priority`: ``` base) glandrum@Badger:/scratch/RDKit_git/build$ conda create -n foo -c conda-forge -c defaults --strict-channel-priority python=3.8 python3-saml Collecting package metadata (current_repodata.json):...
> > I don't see how that can be true if python3-saml doesn't install boost: > > It might be a secondary (or n-ary) dependency of their dependencies If that...
Just as an FYI: The code that's used in that blog post is currently written in Python. It wouldn't be impossible to reimplement the logic in Java, but it probably...
No worries. I will review the PR once it comes in. I would like to update the RDKit binaries before we do a release; PR for that coming this week