QuantumESPRESSOCommands

Documentation	Build Status	Others

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

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

Installation

The package can be installed with the Julia package manager. From the Julia REPL, type ] to enter the Pkg REPL mode and run:

pkg> add QuantumESPRESSOCommands

Or, equivalently, via the Pkg API:

julia> import Pkg; Pkg.add("QuantumESPRESSOCommands")

Command Line Interface

Add ~/.julia/bin to your PATH to enable command line interface. Or run QuantumESPRESSOCommands.comonicon_install_path() to install everything automatically.

Sometimes, you won't trigger the package build of Julia. You can install the command line interface manually via QuantumESPRESSOCommands.comonicon_install().

Completions

If you are using ZSH, you can enable the auto-completion by QuantumESPRESSOCommands.comonicon_install_path(). Or add the FPATH to your .zshrc

export FPATH="$HOME/.julia/completions:$FPATH"

if you do not have oh-my-zsh installed, you need to add

autoload -Uz compinit && compinit

to your .zshrc as well.

Documentation

• STABLE — documentation of the most recently tagged version.
• DEV — documentation of the in-development version.

Project status

The package is tested against, and being developed for, Julia 1.6 and above on Linux, macOS, and Windows.

Questions and contributions

Usage questions can be posted on our discussion page.

Contributions are very welcome, as are feature requests and suggestions. Please open an issue if you encounter any problems. The contributing page has a few guidelines that should be followed when opening pull requests and contributing code.