Roger-luo / AbInitioSoftwareBase.jl

Provides a common API that shared by some ab initio software

AbInitioSoftwareBase

AbInitioSoftwareBase.jl is an interface package that defines some common API shared by some packages that represent different ab initio software like Quantum ESPRESSO, VASP, etc. The API will be extended in QuantumESPRESSOBase.jl, etc.

The code is hosted on GitHub, with some continuous integration services to test its validity.

Compatibility

• Julia version: v1.0.0 to v1.6.1
• Dependencies:
  • Configurations.jl v0.3.0 and above
  • IsURL.jl v0.2.0 and above
  • JSON.jl v0.20.0 and above
  • MPICH_jll.jl v3.3 and above
  • TOML.jl v1.0 and above
  • YAML.jl v0.3.0 and above
  • Preferences.jl v1.0.0 and above
• OS: macOS, Linux, Windows, and FreeBSD
• Architecture: x86, x64, ARM

Installation

To install Spglib, please open Julia's interactive session (known as REPL) and press ] key in the REPL to use the package mode, then type the following command

For stable release

(@v1.6) pkg> add AbInitioSoftwareBase

For current master

(@v1.6) pkg> add AbInitioSoftwareBase#master

Contributors

This repository is created and maintained by singularitti. You are very welcome to contribute.