Re: [Rdkit-discuss] beta of Q1 2010 release up

2010-04-20 Thread Adrian Schreyer
On Tue, Apr 20, 2010 at 04:59, Greg Landrum greg.land...@gmail.com wrote: Hi Andrew, On Mon, Apr 19, 2010 at 12:53 AM, Andrew Dalke da...@dalkescientific.com wrote: On Apr 18, 2010, at 5:43 PM, Greg Landrum wrote: As usual: if no problems come up in the next week I will go ahead and do the

Re: [Rdkit-discuss] beta of Q1 2010 release up

2010-04-20 Thread Geoffrey Hutchison
On Apr 19, 2010, at 11:59 PM, Greg Landrum wrote: The only issue seems to be that I don't know how to install the Python files into my system site-packages. I just don't have the cmake experience. This is something I haven't looked into yet. I believe it should be possible to get

Re: [Rdkit-discuss] beta of Q1 2010 release up

2010-04-20 Thread Andrew Dalke
On Apr 20, 2010, at 6:56 PM, Geoffrey Hutchison wrote: Feel free to steal the CMake from Open Babel. See scripts/CMakeLists.txt. A few weeks ago, we used CMake's SWIG support to compile and install the Python bindings -- this was buggy. Now, we run distutils, e.g.: install(CODE

Re: [Rdkit-discuss] beta of Q1 2010 release up

2010-04-20 Thread Noel O'Boyle
Since the world's attention has been drawn to this, maybe I'd better sort this out now :-) On 20 April 2010 19:04, Andrew Dalke da...@dalkescientific.com wrote: On Apr 20, 2010, at 6:56 PM, Geoffrey Hutchison wrote: Feel free to steal the CMake from Open Babel. See scripts/CMakeLists.txt. A

Re: [Rdkit-discuss] beta of Q1 2010 release up

2010-04-20 Thread Greg Landrum
On Tue, Apr 20, 2010 at 8:15 PM, Noel O'Boyle baoille...@gmail.com wrote: Since the world's attention has been drawn to this, maybe I'd better sort this out now :-) Excellent, and then I can take advantage of your hard work to try and get things a bit easier with the rdkit. -greg

Re: [Rdkit-discuss] beta of Q1 2010 release up

2010-04-20 Thread Geoffrey Hutchison
On Apr 20, 2010, at 2:04 PM, Andrew Dalke wrote: In trying to get OpenBabel to compile on my Mac last week, working with Noel on this, I found that this part of the OB configuration for the Mac doesn't work quite right. I expect the default installation to go into the standard Python

Re: [Rdkit-discuss] beta of Q1 2010 release up

2010-04-20 Thread Noel O'Boyle
On 20 April 2010 19:20, Geoffrey Hutchison ge...@geoffhutchison.net wrote: On Apr 20, 2010, at 2:04 PM, Andrew Dalke wrote: In trying to get OpenBabel to compile on my Mac last week, working with Noel on this, I found that this part of the OB configuration for the Mac doesn't work quite