QuantumESPRESSOCommands
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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 && compinitto 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.