Tree-sitter ORCA

A Tree-sitter grammar for ORCA quantum chemistry input files.

ORCA is a quantum chemistry package for electronic structure calculations. This grammar parses ORCA input files (.inp) including simple command lines, input blocks, geometry specifications as well as complex workflows using compound scripts. In addition, it provides queries to support syntax highlighting, proper indentation and code folding.

Demo

Installation

PyPI

pip install tree-sitter-orca

Neovim with nvim-treesitter

Enable Parser

Add to your init.lua:

-- Define ORCA '*.inp' extension
vim.filetype.add({
	extension = {
		inp = "inp",
	},
})
-- Enable custom tree-sitter parser
local parser_config = require "nvim-treesitter.parsers".get_parser_configs()
parser_config.orca = {
  install_info = {
    url = "https://github.com/kszenes/tree-sitter-orca",
    files = { "src/parser.c" },
    branch = "main",
  },
  filetype = "inp",
}

Install the parser in Neovim using

:TSUpdate orca

You should now be able to inspect the abstract syntax tree from within Neovim using :TSInspect

Syntax Highlighting

Create syntax highlighting:

mkdir -p ~/.config/nvim/queries/orca
ln -s /path/to/tree-sitter-orca/queries/highlights.scm ~/.config/nvim/queries/orca/highlights.scm