Fork MolSysMT

Clone your fork

The raw code fully alive can be cloned from the github repository as follows:

git clone https://github.com/uibcdf/MolSysMT.git

or with the native GitHub cli:

gh repo clone uibcdf/MolSysMT

If you are going to contribute to the code, having a look to the Developer Guide is strongly suggested.

Work with a conda environment

Instructions to build a conda environment depending on the case. Description of the required packages.

environments manager, as conda. If this is the case, use MolSysMT in a python 3.7 environment. You can create a new one this way (where ENV_NAME is the name you want to give to the new environment):

conda create --name ENV_NAME python=3.7

Load the virtual environment where MolSysMT is going to be installed. If you just create a new environment with conda:

conda activate ENV_NAME

Install it

Having the dependencies solved, the command to install MolSysMT from its source code is:

cd MolSysMT
python setup.py develop