Re: [Rdkit-discuss] cairoCanvas.py errors?

2016-04-17 Thread Greg Landrum
Hi Kirk, Welcome back! Those were fixed for the 2015.09 release: https://github.com/rdkit/rdkit/pull/644 Best, -greg On Mon, Apr 18, 2016 at 1:11 AM, Robert DeLisle wrote: > Long time no message! > > Anywho, I've been working today with RDKit 2015.03.01 and in the process > of generating a gr

[Rdkit-discuss] cairoCanvas.py errors?

2016-04-17 Thread Robert DeLisle
Long time no message! Anywho, I've been working today with RDKit 2015.03.01 and in the process of generating a grid of molecule depictions (Draw.MolsToGridImage()), I received the error message below. >From the last line, it seems there has been an API change that changes tostring() to tobytes().

Re: [Rdkit-discuss] Ubuntu 14.04 LTS Build Post Commit 7478e3fd3bee0c20291c2b99776c40a0c7d8a955

2016-04-17 Thread Tim Dudgeon
Brian: thanks, adding libboost-system-dev libboost-thread-dev and libboost-serialization-dev solves the problem. Greg: confirmed, flex and bison are not needed. Many thanks. Tim On 17/04/2016 15:28, Greg Landrum wrote: On Sun, Apr 17, 2016 at 2:43 PM, Brian Kelley

Re: [Rdkit-discuss] Ubuntu 14.04 LTS Build Post Commit 7478e3fd3bee0c20291c2b99776c40a0c7d8a955

2016-04-17 Thread Greg Landrum
On Sun, Apr 17, 2016 at 2:43 PM, Brian Kelley wrote: > Now that we made thread safe the default, you also need boost-system ( and > boost-serialization for FilterCatalog serialization) > > Here is the apt get we use to configure docker files. > > apt install -y wget flex bison build-essential pyt

Re: [Rdkit-discuss] Ubuntu 14.04 LTS Build Post Commit 7478e3fd3bee0c20291c2b99776c40a0c7d8a955

2016-04-17 Thread Brian Kelley
Now that we made thread safe the default, you also need boost-system ( and boost-serialization for FilterCatalog serialization) Here is the apt get we use to configure docker files. apt install -y wget flex bison build-essential python-numpy cmake python-dev sqlite3 libsqlite3-dev libboost-dev li

Re: [Rdkit-discuss] Ubuntu 14.04 LTS Build Post Commit 7478e3fd3bee0c20291c2b99776c40a0c7d8a955

2016-04-17 Thread Tim Dudgeon
I've hit the same issue. Any thoughts on what the underlying issue is (without reverting to using anaconda)? An example that illustrates this is here: https://github.com/InformaticsMatters/rdkit Tim On 20/11/2015 16:02, Greg Landrum wrote: Hi Huw, This is not directly responsive to your quest