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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