# Tree-sitter ORCA
A [Tree-sitter](https://tree-sitter.github.io/tree-sitter/) grammar for [ORCA](https://www.faccts.de/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
<img width="690" height="729" alt="SCR-20250808-ufgv" src="https://github.com/user-attachments/assets/a4dbca4a-0545-4cb6-bdcb-a1a989b401ac" />
## Installation
### PyPI
```bash
pip install tree-sitter-orca
```
### Neovim with nvim-treesitter
#### Enable Parser
Add to your `init.lua`:
```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:
```bash
mkdir -p ~/.config/nvim/queries/orca
ln -s /path/to/tree-sitter-orca/queries/highlights.scm ~/.config/nvim/queries/orca/highlights.scm
```
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"description": "# Tree-sitter ORCA\n\nA [Tree-sitter](https://tree-sitter.github.io/tree-sitter/) grammar for [ORCA](https://www.faccts.de/orca/) quantum chemistry input files.\n\nORCA is a quantum chemistry package for electronic structure calculations.\nThis grammar parses ORCA input files (`.inp`) including simple command lines, input blocks, geometry specifications as well as complex workflows using compound scripts.\nIn addition, it provides queries to support syntax highlighting, proper indentation and code folding.\n\n## Demo\n\n<img width=\"690\" height=\"729\" alt=\"SCR-20250808-ufgv\" src=\"https://github.com/user-attachments/assets/a4dbca4a-0545-4cb6-bdcb-a1a989b401ac\" />\n\n## Installation\n\n### PyPI\n\n```bash\npip install tree-sitter-orca\n```\n\n### Neovim with nvim-treesitter\n\n#### Enable Parser\n\nAdd to your `init.lua`:\n\n```lua\n-- Define ORCA '*.inp' extension\nvim.filetype.add({\n\textension = {\n\t\tinp = \"inp\",\n\t},\n})\n-- Enable custom tree-sitter parser\nlocal parser_config = require \"nvim-treesitter.parsers\".get_parser_configs()\nparser_config.orca = {\n install_info = {\n url = \"https://github.com/kszenes/tree-sitter-orca\",\n files = { \"src/parser.c\" },\n branch = \"main\",\n },\n filetype = \"inp\",\n}\n```\n\nInstall the parser in Neovim using\n\n```\n:TSUpdate orca\n```\n\nYou should now be able to inspect the abstract syntax tree from within Neovim using `:TSInspect`\n\n#### Syntax Highlighting\n\nCreate syntax highlighting:\n\n```bash\nmkdir -p ~/.config/nvim/queries/orca\nln -s /path/to/tree-sitter-orca/queries/highlights.scm ~/.config/nvim/queries/orca/highlights.scm\n```\n\n",
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