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How to install xespresso via python pip




xespresso - Quantum ESPRESSO Calculator for Atomic Simulation Environment (ASE)., it belongs to Classifiers:

- License :: OSI Approved :: GNU General Public License v3 (GPLv3)

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



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_xespresso_env

- Active the virtual environment

test_xespresso_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_xespresso_env

- Active the virtual environment

source test_xespresso_env/bin/active


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

To install xespresso on Windows(CMD):

py -m pip install xespresso

To install xespresso on Unix/macOs:

pip install xespresso


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

Example:

pip install xespresso==1.0.0


Please see the version list below table:

VersionReleased dateCommand
xespresso 1.5.32022-08-13T15:44:34Windows:

py -m pip install xespresso==1.5.3

Unix/macOs:

pip install xespresso==1.5.3

xespresso 1.5.22022-08-13T09:17:01Windows:

py -m pip install xespresso==1.5.2

Unix/macOs:

pip install xespresso==1.5.2

xespresso 1.5.12022-08-13T06:54:15Windows:

py -m pip install xespresso==1.5.1

Unix/macOs:

pip install xespresso==1.5.1

xespresso 1.5.02022-08-10T17:22:04Windows:

py -m pip install xespresso==1.5.0

Unix/macOs:

pip install xespresso==1.5.0

xespresso 1.4.62021-11-06T08:01:01Windows:

py -m pip install xespresso==1.4.6

Unix/macOs:

pip install xespresso==1.4.6

xespresso 1.4.52021-11-06T06:24:31Windows:

py -m pip install xespresso==1.4.5

Unix/macOs:

pip install xespresso==1.4.5

xespresso 1.3.52021-07-12T10:09:20Windows:

py -m pip install xespresso==1.3.5

Unix/macOs:

pip install xespresso==1.3.5

xespresso 1.2.52021-06-25T04:27:56Windows:

py -m pip install xespresso==1.2.5

Unix/macOs:

pip install xespresso==1.2.5

xespresso 1.1.52020-11-20T16:00:37Windows:

py -m pip install xespresso==1.1.5

Unix/macOs:

pip install xespresso==1.1.5

xespresso 1.1.42020-11-18T11:56:16Windows:

py -m pip install xespresso==1.1.4

Unix/macOs:

pip install xespresso==1.1.4

xespresso 1.1.22020-11-12T09:54:49Windows:

py -m pip install xespresso==1.1.2

Unix/macOs:

pip install xespresso==1.1.2

xespresso 1.1.12020-11-11T23:11:20Windows:

py -m pip install xespresso==1.1.1

Unix/macOs:

pip install xespresso==1.1.1

xespresso 1.1.02020-11-10T09:10:01Windows:

py -m pip install xespresso==1.1.0

Unix/macOs:

pip install xespresso==1.1.0

xespresso 1.0.02020-10-30T18:53:06Windows:

py -m pip install xespresso==1.0.0

Unix/macOs:

pip install xespresso==1.0.0


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

Download the distribution file from xespresso-1.5.3.tar.gz or the specific xespresso version in the below list of distribution

After that, install by command:

On Windows(CMD):

py -m pip install <path_to_xespresso_downloaded_file>

On Unix/macOs:

pip install <path_to_xespresso_downloaded_file>


List distribution:


Project link:

- Homepage