Docker installation: Your shell has not been properly configured to use 'conda activate'.

[kyriakosschwarz]

When trying to create a Docker image through
docker build -t chemprop .
I get this error:
`Step 12/14 : RUN conda activate chemprop
---> Running in 1210dba161cc

CommandNotFoundError: Your shell has not been properly configured to use 'conda activate'.
To initialize your shell, run

$ conda init <SHELL_NAME>

Currently supported shells are:

• bash
• fish
• tcsh
• xonsh
• zsh
• powershell

See 'conda init --help' for more information and options.

IMPORTANT: You may need to close and restart your shell after running 'conda init'.
`

I tried modifying the Dockerfile:
SHELL ["/bin/bash", "-c"] RUN conda init bash RUN source "/opt/conda/bin/activate" RUN conda create -n chemprop python=3.7 RUN conda activate chemprop RUN conda install -c conda-forge rdkit RUN pip install -e .

But I still get the same issue.

[swansonk14]

Hi @kyriakosschwarz, thanks for bringing up the issue! If that doesn't work, another thing you could try is changing conda activate chemprop to source activate chemprop. I've seen that this sometimes fixes the issue, especially on older versions of conda. Please let me know if this works or if you're still running into problems!

[kyriakosschwarz]

Thank you @swansonk14 , it worked with source

[yichuanma95]

Hi @kyriakosschwarz, I ran into the same issue you had with the original Dockerfile. After following your modifications to it, I finally got chemprop to work with Docker. Thanks.

SHELL ["/bin/bash", "-c"]
RUN conda init bash
RUN source "/opt/conda/bin/activate"
RUN conda create -n chemprop python=3.7
RUN source activate chemprop
RUN conda install -c conda-forge rdkit
RUN pip install -e .