Right, many thanks!
Yes, each time, before I run any script using python with the conda
that I used to install RDKIT, I have to source the proper environment
directly to bash, after which everything works correctly..
btw, why #subprocess.run('conda activate my-rdkit-env', shell=True)
did not work? I thought it would be the same as the aforementioned
step, but it asks me
To initialize your shell, run
$ conda init <SHELL_NAME>
Currently supported shells are:
- bash
- fish
- tcsh
- xonsh
- zsh
- powershell
ср, 2 дек. 2020 г. в 14:25, Gustavo Seabra <[email protected]>:
>
> I don't believe that it is possible. You have to run your script from within
> the environment where you installed rdkit.
>
> What I actually do is to have a work environment, and then install all the
> packages I need in this same env.
>
> --
> Gustavo Seabra
>
> ________________________________
> From: Jeff Saxon <[email protected]>
> Sent: Wednesday, December 2, 2020 6:48:47 AM
> To: [email protected] <[email protected]>
> Subject: [Rdkit-discuss] activate my-rdkit-env from python script
>
> Dear All,
>
> Since I installed RDKIT using conda, I have to use the following
> command from my bash terminal to activate the RDKIT environment:
> conda activate my-rdkit-env
> How can I do the same but inside my python script?
> I have already tried to call subprocess, but it did not work
> # source environment from python script;
> subprocess.run('conda init bash', shell=True)
> subprocess.run('conda activate my-rdkit-env', shell=True)
>
>
> _______________________________________________
> Rdkit-discuss mailing list
> [email protected]
> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
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