Bug 🐛: Documentation suggestions during Installation

[fortune-max]

Describe the bug.

Running ersilia fetch molecular-weight fails with error when following instructions here

File "/Users/fortune/code/ersilia/ersilia/utils/conda.py", line 297, in clone raise Exception("{0} source environment does not exist".format(src_env)) Exception: eosbase-bentoml-0.11.0-py37 source environment does not exist

Describe the steps to reproduce the behavior

1. Perform the installation steps as described here.
2. Make sure no conda environment called eosbase-bentoml-0.11.0-py37 exists with conda info --env. (We are not told to create it in documentation above).
3. Run ersilia fetch molecular-weight.

Expected behavior.

ersilia fetch and all ersilia cli commands fail. Raises this error making going forward very difficult.

File "/Users/fortune/code/ersilia/ersilia/utils/conda.py", line 297, in clone raise Exception("{0} source environment does not exist".format(src_env)) Exception: eosbase-bentoml-0.11.0-py37 source environment does not exist

(one of the lines above is from a print statement I added to aid me in debugging but is pertinent to the bug).

Screenshots.

No response

Operating environment

MacBook Air M1 2020. macOS Big Sur 11.5.2.

Additional context

Additional documentation suggestion: It is unclear if isaura is cloned within the ersilia working dir or in it's parent. Please clarify in docs.

[GemmaTuron]

Hi @fortune-max

It looks like a problem with installation on your side. Which Anaconda do you have? and have you created a conda environment with python 3.7, and used the command pip install -e .

[fortune-max]

Hi Gemma,

The python I had in my conda environment was python3.8 (python3.7 was unavailable for ARM devices and is not on the conda repo). My conda installation is miniconda3 due to size constraints.

I did activate the Ersilia conda environment and run pip install -e ..

Hope this helps.

[GemmaTuron]

Hi @fortune-max

This looks like a specific issue of your miniconda installation. I cannot reproduce the error

[fortune-max]

Hi @GemmaTuron

I have duplicated the error again, I added the terminal output for you to see. Hopefully that helps some. h5py was installed using conda install h5py which is why it's already present in pip packages and I removed it from requirements.txt. Other than that the codebase is the same. The conda and python versions were also added.

Ersilia error terminal output.txt

(ersilia) fortune@Fortunes-MacBook-Air ersilia % python -V
Python 3.10.4
(ersilia) fortune@Fortunes-MacBook-Air ersilia % conda -V
conda 4.10.1