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Parser for input file for the Orca quantum chemistry package

Project description

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, and variable definitions.

Installation

PyPI

pip install tree-sitter-orca

Neovim with nvim-treesitter

Add to your init.lua:

local parser_config = require "nvim-treesitter.parsers".get_parser_configs()
parser_config.orca = {
  install_info = {
    url = "https://github.com/yourusername/tree-sitter-orca",
    files = { "src/parser.c" },
    branch = "main",
  },
  filetype = "inp",
}

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

Distribution

This grammar is distributed via PyPI for Python applications and can be integrated into text editors through nvim-treesitter or similar extensions.

[!important] After grammar changes:

  • Regenerate: tree-sitter generate
  • Update in editors: TSUpdate orca (nvim)

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