Installation

Requirements

To work with aiida-qe-xspec, you should have:

  • configured an AiiDA profile.

  • QE code installed and configured in your AiiDA profile.

Please refer to the documentation of aiida-core for detailed instructions.

Installation

The recommended method of installation is to use the Python package manager pip:

$ pip install aiida-qe-xspec

This will install the latest stable version that was released to PyPI.

To install the package from source, first clone the repository and then install using pip:

$ git clone https://github.com/aiidaplugins/aiida-qe-xspec
$ cd aiida-qe-xspec
$ pip install -e .

The -e flag will install the package in editable mode, meaning that changes to the source code will be automatically picked up.