| Name | imdclient JSON |
| Version |
0.2.2
JSON |
| download |
| home_page | None |
| Summary | Receiver for IMD v2 and v3 data from simulation engines like Gromacs, LAMMPS, and NAMD |
| upload_time | 2025-07-21 01:57:37 |
| maintainer | None |
| docs_url | None |
| author | None |
| requires_python | >=3.10 |
| license | None |
| keywords |
molecular
simulations
|
| VCS |
 |
| bugtrack_url |
|
| requirements |
No requirements were recorded.
|
| Travis-CI |
No Travis.
|
| coveralls test coverage |
No coveralls.
|
IMDClient
==============================
[//]: # (Badges)
| **Latest release** | [![Last release tag][badge_release]][url_latest_release] ![GitHub commits since latest release (by date) for a branch][badge_commits_since] [![Documentation Status][badge_docs]][url_docs]|
| :----------------- | :------- |
| **Status** | [![GH Actions Status][badge_actions]][url_actions] [![codecov][badge_codecov]][url_codecov] |
| **Community** | [![License: MIT][badge_license]][url_license]
[badge_actions]: https://github.com/becksteinlab/imdclient/actions/workflows/gh-ci.yaml/badge.svg
[badge_codecov]: https://codecov.io/gh/becksteinlab/imdclient/branch/main/graph/badge.svg
[badge_commits_since]: https://img.shields.io/github/commits-since/becksteinlab/imdclient/latest
[badge_docs]: https://readthedocs.org/projects/imdclient/badge/?version=latest
[badge_license]: https://img.shields.io/badge/License-MIT-blue.svg
[badge_release]: https://img.shields.io/github/release-pre/becksteinlab/imdclient.svg
[url_actions]: https://github.com/becksteinlab/imdclient/actions?query=branch%3Amain+workflow%3Agh-ci
[url_codecov]: https://codecov.io/gh/becksteinlab/imdclient/branch/main
[url_docs]: https://imdclient.readthedocs.io/en/latest/?badge=latest
[url_latest_release]: https://github.com/becksteinlab/imdclient/releases
[url_license]: https://opensource.org/license/mit
Receiver for [IMDv3 protocol](https://imdclient.readthedocs.io/en/latest/protocol_v3.html) from simulation engines like Gromacs, LAMMPS, and NAMD.
IMDClient is bound by a [Code of Conduct](https://github.com/becksteinlab/imdclient/blob/main/CODE_OF_CONDUCT.md).
### Installation
IMDClient requires Python 3.10 or higher.
#### Install via mamba (recommended)
To install the latest release of IMDClient from conda-forge:
```
mamba install -c conda-forge imdclient
```
#### Install via pip
To install the latest release of IMDClient from PyPI:
```
pip install imdclient
```
---
### Building from Source
To build IMDClient from source, we highly recommend using virtual environments.
If possible, we recommend that you use [mamba](https://mamba.readthedocs.io/en/latest/) as your package manager through [miniforge](https://github.com/conda-forge/miniforge). (You can substitute `conda` for `mamba` in the commands below if you prefer.)
Below we provide instructions both for `mamba` and for `pip`.
#### Source build with mamba
1. Ensure you have [mamba](https://mamba.readthedocs.io/en/latest/installation/mamba-installation.html) installed.
2. Create and activate a new environment:
```
mamba create --name imdclient
mamba activate imdclient
```
3. (Recommended) Install all dependencies using the provided environment YAML files for a clean and reproducible environment:
```
mamba env update --name imdclient --file devtools/conda-envs/test_env.yaml
mamba env update --name imdclient --file docs/requirements.yaml
```
4. Build and install IMDClient in editable mode:
```
pip install -e .
```
5. (Optional) Update dependencies:
```
mamba update --all
```
6. Deactivate the environment when finished:
```
mamba deactivate
```
#### Source build with pip
1. (Optional) Create and activate a virtual environment:
```
python -m venv venv
source venv/bin/activate
```
2. Install IMDClient from source:
```
pip install .
```
3. (Optional) For development (tests and docs):
```
pip install ".[test,doc]"
```
### Copyright
The IMDClient source code is hosted at https://github.com/becksteinlab/imdclient
and is available under the MIT license (see the file [LICENSE](https://github.com/becksteinlab/imdclient/blob/main/LICENSE)).
Copyright (c) 2024-2025, imdclient [AUTHORS](https://github.com/Becksteinlab/imdclient/blob/main/AUTHORS.md)
#### Acknowledgements
Project based on the
[MDAnalysis Cookiecutter](https://github.com/MDAnalysis/cookiecutter-mda) version 0.1.
**If you use IMDClient in your research, please cite [IMDClient](https://github.com/Becksteinlab/imdclient) in your publications.**
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