Installation

Installing the Package

Magesty is registered in the Julia General registry. Open the Julia REPL and run:

using Pkg
Pkg.add("Magesty")

To track the latest development version instead, add it by URL:

using Pkg
Pkg.add(url="https://github.com/Tomonori-Tanaka/Magesty.jl")

Command-Line Interface

The magesty command-line tool is provided by the MagestyCLI package in the cli/ subdirectory of the repository. Installing it writes a small launcher script into ~/.julia/bin; the launcher runs in its own dedicated environment, independent of your active project.

Install without cloning

Because the core Magesty package is in the General registry, the CLI can be installed directly from the repository's cli/ subdirectory. Run the command in a temporary environment so it does not touch your default project:

using Pkg
Pkg.activate(temp = true)
Pkg.add(url = "https://github.com/Tomonori-Tanaka/Magesty.jl", subdir = "cli")

Adding the package automatically runs the build step that writes the magesty launcher into ~/.julia/bin. The launcher is self-contained, so the temporary environment can be discarded afterwards. To upgrade later, re-run the same two commands; they fetch the latest revision and rebuild the launcher.

Install from a checkout (development)

When developing Magesty, build the CLI against a local checkout so the launcher tracks your working copy:

git clone https://github.com/Tomonori-Tanaka/Magesty.jl
cd Magesty.jl
julia --project=cli -e 'using Pkg; Pkg.develop(path="."); Pkg.instantiate()'
julia --project=cli cli/deps/build.jl

The first julia command makes the core Magesty package resolvable inside the cli/ environment by path; the second runs the build step that writes the launcher. make install-cli runs both steps in one command. After updating your checkout (git pull), re-run the build step to refresh the launcher's environment:

julia --project=cli cli/deps/build.jl

Using the launcher

Add ~/.julia/bin to your PATH:

export PATH="$HOME/.julia/bin:$PATH"

Then list the available commands:

magesty --help

See the Tools page for the full list of magesty subcommands and their options.

For example, convert a VASP run to extended XYZ:

magesty vasp extxyz vasprun.xml --oszicar OSZICAR --output frame.extxyz