| Latest release |   |
|---|---|
| Status |   |
| Community |   |
Receiver for IMDv3 protocol from simulation engines like Gromacs, LAMMPS, and NAMD.
IMDClient is bound by a Code of Conduct.
To build IMDClient from source,
we highly recommend using virtual environments.
If possible, we strongly recommend that you use
Anaconda as your package manager.
Below we provide instructions both for conda and
for pip.
Ensure that you have conda installed.
Create a virtual environment and activate it:
conda create --name imdclient
conda activate imdclient
Build this package from source:
pip install -e .
If you want to update your dependencies (which can be risky!), run:
conda update --all
And when you are finished, you can exit the virtual environment with:
conda deactivate
To build the package from source, run:
pip install .
If you want to create a development environment, install the dependencies required for tests and docs with:
pip install ".[test,doc]"
The IMDClient source code is hosted at https://github.com/becksteinlab/imdclient and is available under the GNU General Public License, version 3 (see the file LICENSE).
Copyright (c) 2024, Lawson
Project based on the MDAnalysis Cookiecutter version 0.1.