Re: [Rdkit-discuss] Latest Mac Conda installation advice; was: Boost 1.61 and the RDKit work together.

Hi, Greg, Thanks. That worked and gave me 3.4. But when I then tried to install rdkit-postgresq95, that failed; The command "conda install -c greglandrum rdkit-postgresql95" gave: The following specifications were found to be in conflict: - rdkit-postgresql95 Use "conda info " to see the

Re: [Rdkit-discuss] Latest Mac Conda installation advice; was: Boost 1.61 and the RDKit work together.

conda install -c rdkit rdkit On Tue, Aug 30, 2016 at 12:27 PM, Peter S. Shenkin wrote: > Hi, Greg, > > What invocation should I use? > > "conda install -c greglandrum rdkit-postgresql95" still complains that I > need rdkit 3.4. > > "conda update rdkit" fails to update rdkit

Re: [Rdkit-discuss] Latest Mac Conda installation advice; was: Boost 1.61 and the RDKit work together.

Hi, Greg, What invocation should I use? "conda install -c greglandrum rdkit-postgresql95" still complains that I need rdkit 3.4. "conda update rdkit" fails to update rdkit from 3.1, whether or not I specify "-c greglandrum". Thanks, -P. On Tue, Aug 30, 2016 at 12:30 AM, Greg Landrum

Re: [Rdkit-discuss] Latest Mac Conda installation advice; was: Boost 1.61 and the RDKit work together.

grrr, I uploaded the rdkit binaries to the wrong place. That's taken care of now too. please try again. -greg On Tue, Aug 30, 2016 at 5:59 AM, Peter S. Shenkin wrote: > Hi, Greg, > > That fails for me because it requires rdkit 3.4 at minimum. > > Earlier, I installed 3.1

Re: [Rdkit-discuss] Latest Mac Conda installation advice; was: Boost 1.61 and the RDKit work together.

Hi, Greg, That fails for me because it requires rdkit 3.4 at minimum. Earlier, I installed 3.1 using conda. There doesn't appear to be a way to install 3.4 using conda. (I tried the default anaconda and also "-c grelandrum".) -P. On Mon, Aug 29, 2016 at 10:55 PM, Greg Landrum

Re: [Rdkit-discuss] Latest Mac Conda installation advice; was: Boost 1.61 and the RDKit work together.

Sorry about that. The command I sent was wrong, and I had made a mistake when I uploaded the file. Please try this one: conda install -c greglandrum rdkit-postgresql95 -greg On Mon, Aug 29, 2016 at 10:47 PM, Peter S. Shenkin wrote: > Hi, Greg, > > Thanks. I tried your

Re: [Rdkit-discuss] Latest Mac Conda installation advice; was: Boost 1.61 and the RDKit work together.

Hi, Greg, Thanks. I tried your invocation, but conda cannot find the package: (rdk0) > conda install -c https://conda.anaconda.org/greglandrum rdkit-postgresql95 2>&1 | tee install_rdkit-postresql_fr_greglandrum.log Fetching package metadata . Solving package specifications: . Error:

Re: [Rdkit-discuss] Latest Mac Conda installation advice; was: Boost 1.61 and the RDKit work together.

Hi Peter, Thanks for pointing out the conda postgresql build; it's great that they are providing this now (though it's a bit irritating that it doesn't have readline support). I was able to do a Mac build of the RDKit cartridge against that postgresql install this morning. Since this uses a

Re: [Rdkit-discuss] Latest Mac Conda installation advice; was: Boost 1.61 and the RDKit work together.

Thanks, Greg. I assumed that because the installation manager gave a conda invocation for rdkit-postgresql, it must exist. Perhaps a bad assumption, but that's why I guessed that it's just not been ported to OS X. FWIW, there is a conda build of PostgreSQL, called "postgresql". Thanks again, -P.

Re: [Rdkit-discuss] Latest Mac Conda installation advice; was: Boost 1.61 and the RDKit work together.

There just isn't a conda build (yet) for the cartridge (or, I believe, for PostgreSQL itself). I did a bit of looking this morning and it is going to require some work to get things working. On Sat, Aug 27, 2016 at 6:25 AM +0200, "Peter S. Shenkin" wrote:

Re: [Rdkit-discuss] Latest Mac Conda installation advice; was: Boost 1.61 and the RDKit work together.

On Sat, Aug 27, 2016 at 5:23 AM, Peter S. Shenkin wrote: > > Lazy execution rules. > :-) -- ___ Rdkit-discuss mailing list

Re: [Rdkit-discuss] Latest Mac Conda installation advice; was: Boost 1.61 and the RDKit work together.

Hey, Greg, Enjoy the mountains and put this on the back burner. I'll report progress (or lack thereof), and in fact I might not have an immediate need for the cartridge, so it can lag behind. Lazy execution rules. -P. On Fri, Aug 26, 2016 at 10:57 PM, Greg Landrum

[Rdkit-discuss] Latest Mac Conda installation advice; was: Boost 1.61 and the RDKit work together.

Hi, I want to install RDKit on my Mac Mini, which I just upgraded to El Capitan. It's pretty much a virgin machine (wiped clean, but running Yosemite, before I started). I don't need to compile RDKit (unless you say I have to); I want to install an image and have it work with PostgreSQL and the