Any suggestions on how to get it to work? I tried to get rid of the need for an environment in RDKit installation using conda-forge on remote machine but I need access beyond a user. For packages with pip installation available, *pip install --user* does the job.
Navid On Wed, Apr 1, 2020 at 12:31 PM Greg Landrum <greg.land...@gmail.com> wrote: > 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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