FAIR-Chem / fairchem

FAIR Chemistry's library of machine learning methods for chemistry
https://opencatalystproject.org/
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Unable to install ocp-models library #590

Closed Suryanarayanan-Balaji closed 10 months ago

Suryanarayanan-Balaji commented 1 year ago

I am following the steps to install the ocpmodels library in my linux machine. However, I am not able to install mamba or access any of the env.yml files needed for installation. Can I ask how to obtain those files and to install mamba? Screenshot from 2023-10-25 11-55-05

abhshkdz commented 1 year ago

Could you share the output of conda info please so we can try reproducing at our end?

And could you also try updating conda (conda update conda) before trying the mamba install command (conda install mamba -n base -c conda-forge)?

The env files are here: [1, 2, 3].

26stanleyc commented 1 year ago

I am also having a similar issue ... this is the output of my conda info: First I tried updating conda, this is what I got for conda info (python --version returns 3.9): active environment : py39 active env location : /Users/stanleychen/anaconda3/envs/py39 shell level : 4 user config file : /Users/stanleychen/.condarc populated config files : /Users/stanleychen/.condarc conda version : 23.9.0 conda-build version : 3.27.0 python version : 3.10.12.final.0 virtual packages : __archspec=1=m2 __osx=13.5=0 __unix=0=0 base environment : /Users/stanleychen/anaconda3 (writable) conda av data dir : /Users/stanleychen/anaconda3/etc/conda conda av metadata url : None channel URLs : https://repo.anaconda.com/pkgs/main/osx-64 https://repo.anaconda.com/pkgs/main/noarch https://repo.anaconda.com/pkgs/r/osx-64 https://repo.anaconda.com/pkgs/r/noarch package cache : /Users/stanleychen/anaconda3/pkgs /Users/stanleychen/.conda/pkgs envs directories : /Users/stanleychen/anaconda3/envs /Users/stanleychen/.conda/envs platform : osx-64 user-agent : conda/23.9.0 requests/2.31.0 CPython/3.10.12 Darwin/22.6.0 OSX/13.5 solver/libmamba conda-libmamba-solver/23.9.1 libmambapy/1.5.1 aau/0.4.2 c/ecu2_VfwsNOjsdrGhDz31g s/VPdzhDtSg2-xYx56Q7-qng e/d24dHQxqkFOm7U50ckayqA UID:GID : 501:20 netrc file : None offline mode : False Following the ocp installation instructions for a cpu-based computer, these are the lines that I ran: conda install mamba -n base -c conda-forge conda install conda-merge -n base -c conda-forge conda-merge env.common.yml env.cpu.yml > env.yml mamba env create -f env.yml

When I ran the mamba env create line, this is what i got: Traceback (most recent call last): File "/Users/stanleychen/anaconda3/condabin/mamba", line 7, in <module> from mamba.mamba import main File "/Users/stanleychen/anaconda3/lib/python3.10/site-packages/mamba/mamba.py", line 16, in <module> from conda.cli.common import ( ImportError: cannot import name 'ensure_name_or_prefix' from 'conda.cli.common' (/Users/stanleychen/anaconda3/lib/python3.10/site-packages/conda/cli/common.py) (py39) stanleychen@macbook-pro-6 ocp % mamba info Traceback (most recent call last): File "/Users/stanleychen/anaconda3/condabin/mamba", line 7, in <module> from mamba.mamba import main File "/Users/stanleychen/anaconda3/lib/python3.10/site-packages/mamba/mamba.py", line 16, in <module> from conda.cli.common import ( ImportError: cannot import name 'ensure_name_or_prefix' from 'conda.cli.common' (/Users/stanleychen/anaconda3/lib/python3.10/site-packages/conda/cli/common.py) Could this problem be a problem with the mamba version? Or is it something else?

26stanleyc commented 1 year ago

Update: I managed to create the environment with mamba but even though I am in the virtual env, the code cannot access the ocpmodels folder for some reason:

image

is this a problem with where my test file is located?

mshuaibii commented 1 year ago

While your environment is active, can you try navigating to the ocp directory you cloned and run pip install -e . within that.

Suryanarayanan-Balaji commented 1 year ago

Could you share the output of conda info please so we can try reproducing at our end?

And could you also try updating conda (conda update conda) before trying the mamba install command (conda install mamba -n base -c conda-forge)?

The env files are here: [1, 2, 3].

I tried updating the conda but mamba is still not installing.

active environment : base active env location : /home/surya/anaconda3 shell level : 1 user config file : /home/surya/.condarc populated config files : /home/surya/.condarc conda version : 23.9.0 conda-build version : 3.27.0 python version : 3.11.5.final.0 virtual packages : __archspec=1=x86_64 cuda=12.2=0 glibc=2.35=0 linux=6.2.0=0 unix=0=0 base environment : /home/surya/anaconda3 (writable) conda av data dir : /home/surya/anaconda3/etc/conda conda av metadata url : None channel URLs : https://repo.anaconda.com/pkgs/main/linux-64 https://repo.anaconda.com/pkgs/main/noarch https://repo.anaconda.com/pkgs/r/linux-64 https://repo.anaconda.com/pkgs/r/noarch package cache : /home/surya/anaconda3/pkgs /home/surya/.conda/pkgs envs directories : /home/surya/anaconda3/envs /home/surya/.conda/envs platform : linux-64 user-agent : conda/23.9.0 requests/2.31.0 CPython/3.11.5 Linux/6.2.0-36-generic ubuntu/22.04.3 glibc/2.35 aau/0.4.2 c/a4RajGFht6j-x_ZVQuDGTg s/P-4zu23rBNfMf3dwE_hFLQ e/kIWBzrKaaL8zdvgqGupI2w UID:GID : 1002:1002 netrc file : None offline mode : False Also this is the output from my conda info.

26stanleyc commented 1 year ago

While your environment is active, can you try navigating to the ocp directory you cloned and run pip install -e . within that.

I managed to fix this issue by moving the file into the ocp cloned repository directory. Thanks so much for your help!

Suryanarayanan-Balaji commented 1 year ago

Could you share the output of conda info please so we can try reproducing at our end? And could you also try updating conda (conda update conda) before trying the mamba install command (conda install mamba -n base -c conda-forge)? The env files are here: [1, 2, 3].

I tried updating the conda but mamba is still not installing.

active environment : base active env location : /home/surya/anaconda3 shell level : 1 user config file : /home/surya/.condarc populated config files : /home/surya/.condarc conda version : 23.9.0 conda-build version : 3.27.0 python version : 3.11.5.final.0 virtual packages : __archspec=1=x86_64 cuda=12.2=0 glibc=2.35=0 linux=6.2.0=0 unix=0=0 base environment : /home/surya/anaconda3 (writable) conda av data dir : /home/surya/anaconda3/etc/conda conda av metadata url : None channel URLs : https://repo.anaconda.com/pkgs/main/linux-64 https://repo.anaconda.com/pkgs/main/noarch https://repo.anaconda.com/pkgs/r/linux-64 https://repo.anaconda.com/pkgs/r/noarch package cache : /home/surya/anaconda3/pkgs /home/surya/.conda/pkgs envs directories : /home/surya/anaconda3/envs /home/surya/.conda/envs platform : linux-64 user-agent : conda/23.9.0 requests/2.31.0 CPython/3.11.5 Linux/6.2.0-36-generic ubuntu/22.04.3 glibc/2.35 aau/0.4.2 c/a4RajGFht6j-x_ZVQuDGTg s/P-4zu23rBNfMf3dwE_hFLQ e/kIWBzrKaaL8zdvgqGupI2w UID:GID : 1002:1002 netrc file : None offline mode : False Also this is the output from my conda info.

I also ended up with segmentation dump afterwards as the memory required was too much.

github-actions[bot] commented 11 months ago

This issue has been marked as stale because it has been open for 30 days with no activity.