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 <package>" to see the dependencies for each package. Then the command "conda info rdkit-postgresql95" gave: Error: Package missing in current osx-64 channels: - rdkit-postgresql95 So it seems the problem is that there is no mac build of that package. I don't need the cartridge immediately, so there's no need to put this together right away for my sake. OTOH, if this does get together, I'm happy to try out the installation. Best, -P. On Tue, Aug 30, 2016 at 6:38 AM, Greg Landrum <[email protected]> wrote: > conda install -c rdkit rdkit > > > On Tue, Aug 30, 2016 at 12:27 PM, Peter S. Shenkin <[email protected]> > 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 from 3.1, whether or not I >> specify "-c greglandrum". >> >> Thanks, >> -P. >> >> On Tue, Aug 30, 2016 at 12:30 AM, Greg Landrum <[email protected]> >> wrote: >> >>> 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 <[email protected]> >>> wrote: >>> >>>> 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 <[email protected]> >>>> wrote: >>>> >>>>> 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 <[email protected]> >>>>> wrote: >>>>> >>>>>> 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_gre >>>>>> glandrum.log >>>>>> >>>>>> Fetching package metadata ......... >>>>>> Solving package specifications: . >>>>>> Error: Package missing in current osx-64 channels: >>>>>> - rdkit-postgresql95 >>>>>> >>>>>> Close matches found; did you mean one of these? >>>>>> rdkit-postgresql95: postgresql >>>>>> >>>>>> You can search for packages on anaconda.org with >>>>>> anaconda search -t conda rdkit-postgresql95 >>>>>> >>>>>> On Mon, Aug 29, 2016 at 2:52 AM, Greg Landrum <[email protected] >>>>>> > wrote: >>>>>> >>>>>>> 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 different set of dependencies, I'm not comfortable >>>>>>> pushing this to the main rdkit channel until after Riccardo and I have >>>>>>> had >>>>>>> a chance to talk about how we want to handle PostgreSQL going forward. >>>>>>> In >>>>>>> the meantime there is a Mac build in my channel at anaconda.org. It >>>>>>> would be great if you could try this out and let me know if it works for >>>>>>> you: >>>>>>> conda install -c https://conda.anaconda.org/greglandrum >>>>>>> rdkit-postgresql95 >>>>>>> >>>>>>> Best, >>>>>>> -greg >>>>>>> >>>>>>> >>>>>>> On Sat, Aug 27, 2016 at 7:49 AM, Peter S. Shenkin <[email protected] >>>>>>> > wrote: >>>>>>> >>>>>>>> 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. >>>>>>>> >>>>>>>> -P. >>>>>>>> >>>>>>>> On Sat, Aug 27, 2016 at 12:56 AM, Greg Landrum < >>>>>>>> [email protected]> wrote: >>>>>>>> >>>>>>>>> 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" < >>>>>>>>> [email protected]> wrote: >>>>>>>>> >>>>>>>>> Well, actually, thought I'd try the conda install of >>>>>>>>>> rdkit-postgresql, using: >>>>>>>>>> >>>>>>>>>> conda install -c https://conda.binstar.org/rdkit rdkit-postgresql >>>>>>>>>> >>>>>>>>>> I get the message: >>>>>>>>>> >>>>>>>>>> Error: Package missing in current osx-64 channels: >>>>>>>>>> - rdkit-postgresql >>>>>>>>>> Close matches found; did you mean one of these? >>>>>>>>>> rdkit-postgresql: postgresql >>>>>>>>>> >>>>>>>>>> >>>>>>>>>> Is the cartridge not supported on OS X? >>>>>>>>>> >>>>>>>>>> -P. >>>>>>>>>> >>>>>>>>>> On Sat, Aug 27, 2016 at 12:10 AM, Greg Landrum < >>>>>>>>>> [email protected]> wrote: >>>>>>>>>> >>>>>>>>>>> >>>>>>>>>>> >>>>>>>>>>> On Sat, Aug 27, 2016 at 5:23 AM, Peter S. Shenkin < >>>>>>>>>>> [email protected]> wrote: >>>>>>>>>>> >>>>>>>>>>>> >>>>>>>>>>>> Lazy execution rules. >>>>>>>>>>>> >>>>>>>>>>> >>>>>>>>>>> :-) >>>>>>>>>>> >>>>>>>>>> >>>>>>>>>> >>>>>>>> >>>>>>> >>>>>> >>>>> >>>> >>> >> >
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