install error with poetry

[htalibart]

Hello,

As indicated in the README, I did:

conda env create -f env-dev.yml
conda activate chemformer
poetry install

but got the following error:

 RuntimeError                                                                                                                                                                                                                                          
                                                                                                                                                                                                                                                        
  The Poetry configuration is invalid:                                                                                                                                                                                                                  
    - Additional properties are not allowed ('group' was unexpected) 

I'm unfamiliar with poetry, could you help me solve this? The machine I want to install Chemformer on is on Ubuntu 22.04.2.

Thank you in advance!

[anniewesterlund]

Hello, This might be helpful for your issue: https://stackoverflow.com/questions/73876790/poetry-configuration-is-invalid-additional-properties-are-not-allowed-group

[htalibart]

Hello,

Thank you for your answer, unfortunately that did not help because I'm using a conda environment and I don't have poetry installed locally. However I was able to fix it.

I noticed that the first line of poetry.lock says:

This file is automatically @generated by Poetry 1.5.1

while the conda environment file provided just says poetry<2.0

Before, I had tried changing it to poetry=1.5 and conda could not solve the environment, so I had tried changing the Python version but then poetry would complain.

What finally worked was installing poetry with pip instead of conda:

name: chemformer
channels:
  - conda-forge
  - defaults
dependencies:
  - python=3.7.11
  - pip
  - pip:
    - poetry==1.5

Could you fix the environment file to make sure it works for other users?

Thank you!