PDB-REDO / AlphaBridge

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Issue with environment #1

Closed christophista closed 3 weeks ago

christophista commented 4 weeks ago

Dear team

Thank you for your software.

Unfortunately, when I tried to recreate the environment, I get the underneath error(s). It happens on both a Win10/AMD and a MacPro/M2 Laptop running conda conda 24.7.1

May I kindly as for your assistance in that matter, please?

Thank you in advance

Best regards, chrsitoph

conda env create -n find_interface --file find_interface_env.yml
Channels:
 - anaconda
 - conda-forge
 - defaults
Platform: win-64
Collecting package metadata (repodata.json): done
Solving environment: failed
Channels:
 - anaconda
 - conda-forge
 - defaults
Platform: win-64
Collecting package metadata (repodata.json): done
Solving environment: failed

LibMambaUnsatisfiableError: Encountered problems while solving:
  - nothing provides requested zstd ==1.5.5 hc292b87_0
  - nothing provides requested zlib ==1.2.13 hd590300_5
  - nothing provides requested zipp ==3.17.0 py39h06a4308_0
  - nothing provides requested zeromq ==4.3.5 h59595ed_1
  - nothing provides requested xz ==5.4.6 h5eee18b_0
  - nothing provides requested wheel ==0.41.2 py39h06a4308_0
  - nothing provides requested urllib3 ==1.26.19 py39h06a4308_0
  - nothing provides requested tornado ==6.4 py39hd1e30aa_0
  - nothing provides requested tk ==8.6.12 h1ccaba5_0
  - nothing provides requested tbb ==2021.8.0 hdb19cb5_0
  - nothing provides requested sqlite ==3.41.2 h5eee18b_0
  - nothing provides requested setuptools ==68.2.2 py39h06a4308_0
  - nothing provides requested seaborn ==0.12.2 py39h06a4308_0
  - nothing provides requested scipy ==1.12.0 py39h5f9d8c6_0
  - nothing provides requested scikit-learn ==1.3.0 py39h1128e8f_0
  - nothing provides requested requests ==2.31.0 py39h06a4308_0
  - nothing provides requested readline ==8.2 h5eee18b_0
  - nothing provides requested pyzmq ==25.1.2 py39h8c080ef_0
  - nothing provides requested pytz ==2023.3.post1 py39h06a4308_0
  - nothing provides requested python-igraph ==0.11.5 py39hc9390a5_1
  - nothing provides requested python ==3.9.19 h955ad1f_0
  - nothing provides requested pysocks ==1.7.1 py39h06a4308_0
  - nothing provides requested pyparsing ==3.0.9 py39h06a4308_0
drlemmus commented 3 weeks ago

We are in the process of cleaning up the dependencies. We'll get back to you when it's done.

Dan-salv commented 3 weeks ago

I'm still working on cleaning up the dependencies, but I've updated the environment.yml file for installing them with Conda. It should now work for Windows 10 and the WSL (Windows Subsystem for Linux). Just follow the activation instructions to get started

conda env create -f environment.yml
conda activate AlphaBridge

if that does not work you could possible create an empty conda environment , install pip on that enviroment and use:

pip install -r requirements.txt Please update us in case you still can't install the dependencies.

christophista commented 3 weeks ago

Dear team

Thank you for your time and effort.

And thank you for the changes to your code. The environment can be created and your software works. Thanks a lot!

Best regards, chrsitoph