Re: [Rdkit-discuss] RDKit Release 2018.09.2 available

2019-03-06 Thread Markus Sitzmann
Hi Greg, in the meantime, I found a solution: I added a "conda update" as final step when I build my base python/conda container. The RDKit container is build on top of that and now it finds RDKit 2018.09.2 without telling conda the version number explicitly. Why this worked beforehand without

Re: [Rdkit-discuss] RDKit Release 2018.09.2 available

2019-02-22 Thread Dimitri Maziuk via Rdkit-discuss
On 2/22/19 5:01 PM, Markus Sitzmann wrote: > It is odd, but one thing I learned from using conda is, sometimes it helps > to ignore problems and wait for a bit and they might go away ... well, I > have similar experiences with maven :-) ... but most likely I do something > stupid which I don't

Re: [Rdkit-discuss] RDKit Release 2018.09.2 available

2019-02-22 Thread Greg Landrum
Hi Markus, I can't reproduce that. Here's what I get when I create a new environment: (tmp) glandrum@otter:~/Code/rdkit_containers/docker$ conda install conda-forge::rdkit Collecting package metadata: done Solving environment: done ## Package Plan ## environment location:

Re: [Rdkit-discuss] RDKit Release 2018.09.2 available

2019-02-21 Thread Markus Sitzmann
Hi Greg, I just saw it is available in the conda-forge channel (with a time stamp of 2 hours + a few minutes), however, if I install it from there (in a fresh container) I receive 2018_09_1 - only when I explicitly force version 2018_09_2 I receive it (and at a very fast glance it is running).