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How to install aiida-plumed via python pip




aiida-plumed - AiiDA plugin providing support for Plumed2, it belongs to Classifiers:

- Development Status :: 2 - Pre-Alpha
- Framework :: AiiDA

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



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_aiida-plumed_env

- Active the virtual environment

test_aiida-plumed_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_aiida-plumed_env

- Active the virtual environment

source test_aiida-plumed_env/bin/active


Step 2: OK, now, let flow below content to start the installation aiida-plumed

To install aiida-plumed on Windows(CMD):

py -m pip install aiida-plumed

To install aiida-plumed on Unix/macOs:

pip install aiida-plumed


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

Example:

pip install aiida-plumed==0.1.0a0                                                        pre-release


Please see the version list below table:

VersionReleased dateCommand

Step 4: Otherwise, you can install aiida-plumed from local archives:

Download the distribution file from aiida-plumed-0.1.0a0.tar.gz or the specific aiida-plumed version in the below list of distribution

After that, install by command:

On Windows(CMD):

py -m pip install <path_to_aiida-plumed_downloaded_file>

On Unix/macOs:

pip install <path_to_aiida-plumed_downloaded_file>


List distribution:

- aiida-plumed-0.1.0a0.tar.gz
- aiida_plumed-0.1.0a0-py2-none-any.whl


Project link:

- Homepage