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lab-cosmo / librascal

A scalable and versatile library to generate representations for atomic-scale learning
https://lab-cosmo.github.io/librascal/
GNU Lesser General Public License v2.1
80 stars 18 forks source link

problem installing librascal #385

Open bpfrd opened 3 years ago

bpfrd commented 3 years ago

Hi,

I installed the requirements using: sudo python3 -m pip install -r requirements.txt but when I try to install librascal using: sudo python3 -m pip install librascal I get the below error: ERROR: Could not find a version that satisfies the requirement librascal ERROR: No matching distribution found for librascal

How would you install it using pip? Best

ceriottm commented 3 years ago

If you actually have fetched the repo, just do pip install . from the root folder

bpfrd commented 3 years ago

Thanks. I installed it successfully but I get error when I call it:

ModuleNotFoundError Traceback (most recent call last)

in 10 from tqdm.notebook import tqdm 11 import rascal ---> 12 from rascal.representations import SphericalExpansion as SEXP 13 from rascal.representations import SphericalInvariants as SOAP 14 from rascal.neighbourlist.structure_manager import ( ModuleNotFoundError: No module named 'rascal.representations'
ceriottm commented 3 years ago

check that you actually didn't pip install rascal - there is a library on pip with that name and that might interfere with the namespace.