Coding With Fun
Home Docker Django Node.js Articles Python pip guide FAQ Policy
 

How to install mdforce via python pip




mdforce - MDForce is a package to calculate the force field, potential energy and related data in molecular dynamics simulations, it belongs to Classifiers:

- Intended Audience :: Education

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



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


Optional - If you want to install in virtual environment:

In Windows (CMD):

- Install virtualenv - if you installed it, please ignore

py -m pip install --user virtualenv

- Create a virtual environment

py -m venv test_mdforce_env

- Active the virtual environment

test_mdforce_env\Scripts\active

In Unix/macOS:

- Install virtualenv - if you installed it, please ignore

pip3 install virtualenv

- Create a virtual environment

python3 -m venv test_mdforce_env

- Active the virtual environment

source test_mdforce_env/bin/active


Step 2: OK, now, let flow below content to start the installation mdforce

To install mdforce on Windows(CMD):

py -m pip install mdforce

To install mdforce on Unix/macOs:

pip install mdforce


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

Example:

pip install mdforce==0.0.0


Please see the version list below table:

VersionReleased dateCommand
mdforce 0.0.02022-01-08T11:17:33Windows:

py -m pip install mdforce==0.0.0

Unix/macOs:

pip install mdforce==0.0.0


Step 4: Otherwise, you can install mdforce from local archives:

Download the distribution file from mdforce-0.0.0.tar.gz or the specific mdforce version in the below list of distribution

After that, install by command:

On Windows(CMD):

py -m pip install <path_to_mdforce_downloaded_file>

On Unix/macOs:

pip install <path_to_mdforce_downloaded_file>


List distribution:

- mdforce-0.0.0-py3-none-any.whl (python version >=3.6)
- mdforce-0.0.0.tar.gz (python version >=3.6)


Project link:

- Homepage
- Bug Tracker