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uibcdf / OpenPharmacophore

An open library to work with pharmacophores.
https://www.uibcdf.org/OpenPharmacophore
MIT License
36 stars 10 forks source link

conda -c uibcdf openpharmacophore #84

Open mapengsen opened 1 year ago

mapengsen commented 1 year ago

what is "conda -c uibcdf openpharmacophore"? "conda install -c uibcdf openpharmacophore" is correct?

when i install ,i get the error: Collecting package metadata (current_repodata.json): done Solving environment: failed with initial frozen solve. Retrying with flexible solve. Collecting package metadata (repodata.json): done Solving environment: failed with initial frozen solve. Retrying with flexible solve.

PackagesNotFoundError: The following packages are not available from current channels:

JeongSooNa commented 3 months ago

I have same issue.

The package is not is UIBCDF conda channel. Is there any ways to install conda environments or packages?

JeongSooNa commented 3 months ago

Hi @mapengsen,

I solved this issues in my process and this is what I entered.

conda create -n pharmacophore_env python=3.8 conda activate pharmacophore_env conda install -c conda-forge rdkit git clone https://github.com/uibcdf/OpenPharmacophore.git cd OpenPharmacophore/ pip install . conda install uibcdf/label/dev::pyunitwizard conda install -c conda-forge openmm conda install -c conda-forge pint conda install -c conda-forge mdtraj vi OpenPharmacophore/openpharmacophore/constants.py #***issue*** pip install networkx pip install nglview

*** In constants.py script, the module name in script is differents from other script. please update!

I hope this is useful :)