Cannot create env with mamba

[geemi725]

I have been trying to use torchmd-net and torchmd-cg. I first tried installing torchmd-net following the instructions given. Tried to create the env with mamba and I encountered the following error. Help?

Encountered problems while solving:
  - nothing provides requested nnpops 0.2
  - nothing provides requested pytorch_cluster 1.5.9

[raimis]

Which command gives this? Looks like, you are missing a channel.

[geemi725]

This error occurs when I do mamba env create -f environment.yml

[raimis]

I tried on the local machine -- works without a problem. I tried with the CI -- works without a problem (https://github.com/torchmd/torchmd-net/runs/8138813540?check_suite_focus=true)

Make sure you have the latest mamba.

[raimis]

Also, could you share the output of mamba info.

[geemi725]

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             /  /   \_/   \_/   \_/   \    o \__,
            / _/                       \_____/  `
            |/
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        ██║ ╚═╝ ██║██║  ██║██║ ╚═╝ ██║██████╔╝██║  ██║
        ╚═╝     ╚═╝╚═╝  ╚═╝╚═╝     ╚═╝╚═════╝ ╚═╝  ╚═╝

        mamba (0.25.0) supported by @QuantStack

        GitHub:  https://github.com/mamba-org/mamba
        Twitter: https://twitter.com/QuantStack

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     active environment : base
    active env location : /Users/geemi/mambaforge
            shell level : 1
       user config file : /Users/geemi/.condarc
 populated config files : /Users/geemi/mambaforge/.condarc
                          /Users/geemi/.condarc
          conda version : 4.14.0
    conda-build version : not installed
         python version : 3.10.6.final.0
       virtual packages : __osx=11.6.5=0
                          __unix=0=0
                          __archspec=1=arm64
       base environment : /Users/geemi/mambaforge  (writable)
      conda av data dir : /Users/geemi/mambaforge/etc/conda
  conda av metadata url : None
           channel URLs : https://conda.anaconda.org/conda-forge/osx-arm64
                          https://conda.anaconda.org/conda-forge/noarch
          package cache : /Users/geemi/mambaforge/pkgs
                          /Users/geemi/.conda/pkgs
       envs directories : /Users/geemi/mambaforge/envs
                          /Users/geemi/.conda/envs
               platform : osx-arm64
             user-agent : conda/4.14.0 requests/2.28.1 CPython/3.10.6 Darwin/20.6.0 OSX/11.6.5
                UID:GID : 501:20
             netrc file : None
           offline mode : False

[geemi725]

Full output from mamba env create -f environment.yml

mamba env create -f environment.yml
conda-forge/osx-arm64                                       Using cache
conda-forge/noarch                                          Using cache


Looking for: ['h5py', 'matplotlib', 'nnpops==0.2', 'pip', 'pytorch==1.11.0', 'pytorch_cluster==1.5.9', 'pytorch_geometric==2.0.3', 'pytorch_scatter==2.0.8', 'pytorch_sparse==0.6.10', 'pytorch-lightning==1.6.3', 'torchmetrics==0.8.2', 'tqdm', 'flake8', 'pytest', 'psutil']


Encountered problems while solving:
  - nothing provides requested nnpops 0.2
  - nothing provides requested pytorch_cluster 1.5.9

(base) geemi@vpn-10-40-13-13 torchmd-net % 

[peastman]

It looks like those packages aren't available for ARM Mac. https://anaconda.org/conda-forge/pytorch_cluster only lists Linux x86 and Mac x86.

[geemi725]

I've tried this in my linux machine too. After several failed attempts to install from the environment.yml file, I tried install one package at a time manually. I keep encountering following error with installation of nnpops==0.2 and pytorch_cluster==1.5.9. Other packages have no issue. It's these two which causes the errors.

ResolvePackageNotFound: 
  - python=3.1

[raimis]

Can you share the exact command which gives that error?

[geemi725]

I was able to fix the issue. I was using an old cudnn version.