How to install gmx-pes via python pip

- License :: OSI Approved :: GNU General Public License v3 or later (GPLv3+)
- Topic :: Scientific/Engineering :: Bio-Informatics
- Topic :: Scientific/Engineering :: Chemistry
- Topic :: Scientific/Engineering :: Physics

When you know about this project and you want to new install gmx-pes to support your project or you get trouble as ModuleNotFoundError: No module named "gmx-pes" or ImportError: cannot import name "gmx-pes" in your project, let follow this tutorial to install gmx-pes

Installation:

Step 1: First, ensure you installed pip in your os, to check pip has been installed on your computer

In Windows (CMD):

py -m pip --version

In Unix/macOS:

python3 -m pip --version

Ensure pip, setuptools, and wheel are up to date:

In Windows (CMD):

py -m pip install --upgrade pip setuptools wheel

In Unix/macOS:

python3 -m pip install --upgrade pip setuptools wheel

py -m pip install --user virtualenv

py -m venv test_gmx-pes_env

test_gmx-pes_env\Scripts\active

pip3 install virtualenv

python3 -m venv test_gmx-pes_env

source test_gmx-pes_env/bin/active

Step 2: OK, now, let flow below content to start the installation gmx-pes

To install gmx-pes on Windows(CMD):

py -m pip install gmx-pes

To install gmx-pes on Unix/macOs:

pip install gmx-pes

Step 3: If you want to install a specific gmx-pes version, add ==<gmx-pes version> to the end command line

Example:

pip install gmx-pes==0.0.1a1                                                        pre-release

Please see the version list below table:

Step 4: Otherwise, you can install gmx-pes from local archives:

Download the distribution file from gmx_pes-0.0.1a1.tar.gz or the specific gmx-pes version in the below list of distribution

After that, install by command:

On Windows(CMD):

py -m pip install <path_to_gmx-pes_downloaded_file>

On Unix/macOs:

pip install <path_to_gmx-pes_downloaded_file>

List distribution:

- gmx_pes-0.0.1a1-py3-none-any.whl (python version >=3.5)
- gmx_pes-0.0.1a1.tar.gz (python version >=3.5)

Project link:

- Homepage