Hi, Here's the resolution of the difficulties I was having installing rdkit-postgresql95 on Mac OS X.
The problem turned out to be that the package originally posted used Py 3.5, and I'm still using 2.7. I may change to 3.5 at some point, but Greg was kind enough to add a 2.7 version of the package. So, the following invocations work to set up rdkit with the cartridge in a new env on Mac OS X. I'm on El Capitan, by the way, and for clarity, I've not tested the installation, but only checked that it completed successfully. conda create -n rdk1 -c rdkit rdkit . activate rdk1 conda install -c greglandrum rdkit-postgresql95 (The last command also installs postgresql 9.5.4-0.) Thanks, Greg, for your help on this. -P. On Tue, Aug 30, 2016 at 7:05 AM, Peter S. Shenkin <shen...@gmail.com> wrote: > 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 <greg.land...@gmail.com> > wrote: > >> conda install -c rdkit rdkit >> >> >> On Tue, Aug 30, 2016 at 12:27 PM, Peter S. Shenkin <shen...@gmail.com> >> 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 <greg.land...@gmail.com> >>> 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 <shen...@gmail.com> >>>> 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 <greg.land...@gmail.com >>>>> > 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 <shen...@gmail.com >>>>>> > 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 < >>>>>>> greg.land...@gmail.com> 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 < >>>>>>>> shen...@gmail.com> 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 < >>>>>>>>> greg.land...@gmail.com> 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" < >>>>>>>>>> shen...@gmail.com> 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 < >>>>>>>>>>> greg.land...@gmail.com> wrote: >>>>>>>>>>> >>>>>>>>>>>> >>>>>>>>>>>> >>>>>>>>>>>> On Sat, Aug 27, 2016 at 5:23 AM, Peter S. Shenkin < >>>>>>>>>>>> shen...@gmail.com> wrote: >>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>>>> Lazy execution rules. >>>>>>>>>>>>> >>>>>>>>>>>> >>>>>>>>>>>> :-) >>>>>>>>>>>> >>>>>>>>>>> >>>>>>>>>>> >>>>>>>>> >>>>>>>> >>>>>>> >>>>>> >>>>> >>>> >>> >> >
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