Bingo, it works! Thank you Christos.
So perhaps the problem lies with the rdkit channel, rather than on my end?
Ling
Christos Kannas 於 2020年10月16日週五 下午12:46寫道：
> Hi Ling,
>
> Maybe you should switch to conda-forge channel. Replace "-c rdkit" with
> "-c conda-forge".
> At least that's what
Hi Ling,
Maybe you should switch to conda-forge channel. Replace "-c rdkit" with "-c
conda-forge".
At least that's what I'm using personally and I have no problems so far.
The latest version of rdkit there is 2020.03.6.
Best,
Christos
Christos Kannas
Scientific Software Developer
Thank you Drew for your suggestion. I tried it, but it did not help.
I also did a "conda clean -a" on top of that. Still, when I do
conda create -c rdkit -n rdkenv rdkit
it stubbornly points to
rdkit rdkit/linux-64::rdkit-2018.03.2.0-py36h6bb024c_1
and as I wrote before, I don't
Thank you Sean and Sebastian for your replies. I don't have a .condarc in
my home directory. I don't know where it picks up the channels.
In any case, when I tried to install something that does not exist, it
responds like below. I checked all the channels. rdkit is only available on
the first
Dear Ling,
Recently, I asked the same question and somebody told me to be carefull
about python version. So when I installed RDKit I specify python=2.7 and I
worked.
I don't know If this hace changed.
Hope this work for you too.
Best regards!
Dr. Sebastián J. Castro
Departamento de Ciencias
We recently found that we had an rdkit conda channel and any attempt to
update or install the newest rdkit from conda would use that channel which
was out of date. Removing the channel let us install the up to date
distribution. You should check your .condarc file and see if removing any
of the
Thank you Taka and Dennis for the suggestions.
I tried conda update but it does not work. My rdkit is still stuck at
2018.03.2.0.
Then I made a new environment
conda create -c rdkit -n new_env rdkit=2019.09.2.0
Now the new environment has 2019.09.2.0 instead of 2018.03.2.0. But
when I do conda
Ling
I ran into something similar installing an older version of rdkit recently,
the temporary fix to get you able to install a new is adding "python=3.7"
to your create statement
conda create -c rdkit -n my-rdkit-env rdkit python=3.7
Or specify the version of rdkit you would like...
conda
Hi Ling,
How about trying to use conda update command?
$ conda activate my-rdkit-env
$ conda update rdkit
Thanks,
Taka
2020年10月11日(日) 7:48 Ling Chan :
> Dear colleagues,
>
> I am trying to install RDKit using conda. According to the manual at
>
Dear colleagues,
I am trying to install RDKit using conda. According to the manual at
https://www.rdkit.org/docs/Install.html#how-to-install-rdkit-with-conda
it is very simple. I just need to do
conda create -c rdkit -n my-rdkit-env rdkit
It used to work. Somehow when I try this again, things
i , "rdkit-discuss@lists.sourceforge.net"
Betreff: Re: [Rdkit-discuss] conda install rdkit
I ran into something similar a Mac running High Sierra. I never got a straight
update to work. The solution was to first explicitly conda uninstall rdkit, and
then reinstall after it had been compl
> *Datum: *Donnerstag, 7. Februar 2019 um 12:43
> *An: *"Czodrowski, Paul"
> *Cc: *"rdkit-discuss@lists.sourceforge.net" <
> rdkit-discuss@lists.sourceforge.net>
> *Betreff: *Re: [Rdkit-discuss] conda install rdkit
>
>
>
> Dear Paul,
>
>
>
> Current
e conda-forge, but here rdkit is still in the 2018-03
>> version:
>>
>> rdkit: 2018.03.3.0-py35h04f5b5a_1 rdkit -->
>> 2018.03.4-py35h557c172_0 conda-forge
>>
>>
>>
>>
>>
>> Cheers,
>>
>> Paul
>>
>>
tag, 7. Februar 2019 um 12:43
> *An: *"Czodrowski, Paul"
> *Cc: *"rdkit-discuss@lists.sourceforge.net" <
> rdkit-discuss@lists.sourceforge.net>
> *Betreff: *Re: [Rdkit-discuss] conda install rdkit
>
>
>
> Dear Paul,
>
>
>
> Current
: 2018.03.3.0-py35h04f5b5a_1 rdkit -->
2018.03.4-py35h557c172_0 conda-forge
Cheers,
Paul
Von: Taka Seri
Datum: Donnerstag, 7. Februar 2019 um 12:43
An: "Czodrowski, Paul"
Cc: "rdkit-discuss@lists.sourceforge.net"
Betreff: Re: [Rdkit-discuss] conda install rdk
Dear Paul,
Current version of rdkit is provided for python3.6 and 2.7 from anaconda
"rdkit" and "conda-forge" channel.
https://anaconda.org/rdkit/rdkit/files?version=2018.09.1.0
https://anaconda.org/conda-forge/rdkit/files?version=2018.09.1
i recommend you to make python3.6 environment for using
Dear RDKitters,
in my python3.5 conda environment on macOS, I’m running rdkit version
2018.03.3.0. I would like to update it to 2018.09, but simply “conda update
rdkit” or “conda update -c rdkit rdkit” does not help.
Any help/comment would be highly appreciated.
Cheers,
Paul
Wichtiger
17 matches
Mail list logo
