How to install aiida-orca via python pip

- Environment :: Plugins
- Framework :: AiiDA
- Intended Audience :: Science/Research
- License :: OSI Approved
- License :: OSI Approved :: MIT License
- Programming Language :: Python
- Programming Language :: Python :: 3
- Programming Language :: Python :: 3.6
- Programming Language :: Python :: 3.7
- Programming Language :: Python :: 3.8

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

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_aiida-orca_env

test_aiida-orca_env\Scripts\active

pip3 install virtualenv

python3 -m venv test_aiida-orca_env

source test_aiida-orca_env/bin/active

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

To install aiida-orca on Windows(CMD):

py -m pip install aiida-orca

To install aiida-orca on Unix/macOs:

pip install aiida-orca

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

Example:

pip install aiida-orca==0.5.0

Please see the version list below table:

py -m pip install aiida-orca==0.5.1

pip install aiida-orca==0.5.1

py -m pip install aiida-orca==0.5.0

pip install aiida-orca==0.5.0

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

Download the distribution file from aiida-orca-0.5.1.tar.gz or the specific aiida-orca version in the below list of distribution

After that, install by command:

On Windows(CMD):

py -m pip install <path_to_aiida-orca_downloaded_file>

On Unix/macOs:

pip install <path_to_aiida-orca_downloaded_file>

List distribution:

- aiida-orca-0.5.0.tar.gz
- aiida_orca-0.5.0-py3-none-any.whl
- aiida-orca-0.5.1.tar.gz
- aiida_orca-0.5.1-py3-none-any.whl

Project link:

- Homepage