Re: [Rdkit-discuss] two rdkit versions, always one is used
I find it also helps to install nb_conda in all the conda environments that I use Jupyter in. What happens when you do jupyter kernelspec list ? Curt On Wed, Oct 25, 2017 at 8:29 AM, Greg Landrum <greg.land...@gmail.com> wrote: > Hopefully you are using conda environments and not virtual envs, but > whenever this happens to me it’s because I forgot to install Jupyter in the > new environment, so when I invoke Jupyter from the command line it uses the > one in the default conda environment. > > Test for this: check that you have Jupyter installed and are using the > right one (“which jupyter”) > > -greg > > -- > *From:* Markus Metz <metm...@gmail.com> > *Sent:* Wednesday, October 25, 2017 3:36:08 PM > *To:* RDKit Discuss > *Subject:* [Rdkit-discuss] two rdkit versions, always one is used > > Hello all: > > I just installed the newest rdkit version via conda in a virtual env > called 09217. > This went without any problems. > In addition I have an older rdkit version installed in a virtual env > called 092016. > > Now, when I run a jupyter notebook in the 092017 env and display the rdkit > version it still says 092016. > > Does anybody have an idea what is going on? > > Many thanks in advance, > > Markus > > > > > > -- > Check out the vibrant tech community on one of the world's most > engaging tech sites, Slashdot.org! http://sdm.link/slashdot > ___ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss > > -- Check out the vibrant tech community on one of the world's most engaging tech sites, Slashdot.org! http://sdm.link/slashdot___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
Re: [Rdkit-discuss] two rdkit versions, always one is used
Hopefully you are using conda environments and not virtual envs, but whenever this happens to me it’s because I forgot to install Jupyter in the new environment, so when I invoke Jupyter from the command line it uses the one in the default conda environment. Test for this: check that you have Jupyter installed and are using the right one (“which jupyter”) -greg From: Markus Metz <metm...@gmail.com> Sent: Wednesday, October 25, 2017 3:36:08 PM To: RDKit Discuss Subject: [Rdkit-discuss] two rdkit versions, always one is used Hello all: I just installed the newest rdkit version via conda in a virtual env called 09217. This went without any problems. In addition I have an older rdkit version installed in a virtual env called 092016. Now, when I run a jupyter notebook in the 092017 env and display the rdkit version it still says 092016. Does anybody have an idea what is going on? Many thanks in advance, Markus -- Check out the vibrant tech community on one of the world's most engaging tech sites, Slashdot.org! http://sdm.link/slashdot___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
[Rdkit-discuss] Two rdkit versions, always one is used
And of course it would probably help to let you know that I am working on centos 6. In addition I checked the environment variables in my virtual environment but could not find anything obviously wrong. Markus -- Forwarded message -- From: Markus Metz <metm...@gmail.com> Date: Wed, Oct 25, 2017 at 6:36 AM Subject: two rdkit versions, always one is used To: RDKit Discuss <rdkit-discuss@lists.sourceforge.net> Hello all: I just installed the newest rdkit version via conda in a virtual env called 09217. This went without any problems. In addition I have an older rdkit version installed in a virtual env called 092016. Now, when I run a jupyter notebook in the 092017 env and display the rdkit version it still says 092016. Does anybody have an idea what is going on? Many thanks in advance, Markus -- Check out the vibrant tech community on one of the world's most engaging tech sites, Slashdot.org! http://sdm.link/slashdot___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
[Rdkit-discuss] two rdkit versions, always one is used
Hello all: I just installed the newest rdkit version via conda in a virtual env called 09217. This went without any problems. In addition I have an older rdkit version installed in a virtual env called 092016. Now, when I run a jupyter notebook in the 092017 env and display the rdkit version it still says 092016. Does anybody have an idea what is going on? Many thanks in advance, Markus -- Check out the vibrant tech community on one of the world's most engaging tech sites, Slashdot.org! http://sdm.link/slashdot___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
