Installing cosolvkit
Installation from conda/mamba
$ conda install --channel cosolvkit
Installation (from PyPI)
Please note that CosolvKit requires Python >=3.10.
$ pip install cosolvkit
If using conda, pip installs the package in the active environment.
This installation doesn’t take care of dependencies too since some of them would take too long to be resolved in the conda envinroment.
To install cosolvkit dependencies:
$ conda create -n cosolvkit --file environment.yml && conda activate cosolvkit
Installation from source code
$ git clone git@github.com:forlilab/cosolvkit.git
$ cd cosolvkit
$ conda create -n cosolvkit --file environment.yml
$ pip install .
If you wish to make the code for CosolvKit editable without having to re-run pip install ., instead use
$ pip install --editable .