That isn’t the python that comes from your conda environment On Wed, 1 Apr 2020 at 16:58, Navid Shervani-Tabar <nshe...@gmail.com> wrote:
> Here are the outputs: > > (Navid_env) [nshervan@qa-v100-004 ~/Private/Research/Scattering-VAE ]which > python3 > > /afs/crc.nd.edu/x86_64_linux/p/pytorch/1.0.0/build-new/bin/python3 > > (Navid_env) [nshervan@qa-v100-004 ~/Private/Research/Scattering-VAE ]python3 > -c "from rdkit import Chem;print(Chem.__file__)" > > Traceback (most recent call last): > > File "<string>", line 1, in <module> > > ModuleNotFoundError: No module named 'rdkit' > > (Navid_env) [nshervan@qa-v100-004 ~/Private/Research/Scattering-VAE ] > > Navid > > On Wed, Apr 1, 2020 at 10:40 AM Greg Landrum <greg.land...@gmail.com> > wrote: > >> Are you sure that you get the python from your environment when you do >> "python3 main.py"? >> >> Please try these two commands: >> >> which python3 >> python3 -c "from rdkit import Chem;print(Chem.__file__)" >> >> >> >> On Tue, Mar 31, 2020 at 11:17 PM Navid Shervani-Tabar <nshe...@gmail.com> >> wrote: >> >>> Hello RDKiters, >>> >>> I have been using rdkit on my laptop for a while. I was trying to >>> install it on my remote repository using conda-forge. It looks like I was >>> able to install it but I still get the following error >>> >>> (Navid_env) [*****@crcfe01 ~/Private/Research/code ] conda install -c >>> conda-forge rdkit >>> >>> Collecting package metadata (current_repodata.json): done >>> >>> Solving environment: done >>> >>> >>> >>> ==> WARNING: A newer version of conda exists. <== >>> >>> current version: 4.8.2 >>> >>> latest version: 4.8.3 >>> >>> >>> Please update conda by running >>> >>> >>> $ conda update -n base -c defaults conda >>> >>> >>> >>> >>> # All requested packages already installed. >>> >>> >>> (Navid_env) [*****@crcfe01 ~/Private/Research/code ] python3 main.py >>> >>> Traceback (most recent call last): >>> >>> File "main.py", line 6, in <module> >>> >>> from VAEtrain import VAEgraph >>> >>> File "/afs/ >>> crc.nd.edu/user/n/*****/Private/Research/Scattering-VAE/VAEtrain.py", >>> line 22, in <module> >>> >>> from utils import tools >>> >>> File "/afs/ >>> crc.nd.edu/user/n/*****/Private/Research/Scattering-VAE/utils.py", line >>> 6, in <module> >>> >>> from rdkit import Chem >>> >>> ModuleNotFoundError: No module named 'rdkit' >>> >>> Any idea what might be wrong? (and yes, I have logged in and out before >>> running). >>> >>> Thanks, >>> Navid >>> _______________________________________________ >>> Rdkit-discuss mailing list >>> Rdkit-discuss@lists.sourceforge.net >>> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >>> >>
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