Metadata-Version: 2.5
Name: nautilus-astrochem
Version: 2.1.1
Summary: Python CLI for the Nautilus gas-grain chemistry code
Project-URL: homepage, https://gitlab.in2p3.fr/LAB/astrochem-tools/nautilus
Project-URL: repository, https://gitlab.in2p3.fr/LAB/astrochem-tools/nautilus
Author-email: Valentine Wakelam <valentine.wakelam@u-bordeaux.fr>, Alexandre Mechineau <alexandre.mechineau@u-bordeaux.fr>
License-Expression: MIT
License-File: LICENSE
Classifier: Intended Audience :: Science/Research
Classifier: Programming Language :: Python :: 3 :: Only
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Programming Language :: Python :: 3.13
Classifier: Programming Language :: Python :: 3.14
Classifier: Topic :: Scientific/Engineering :: Astronomy
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Typing :: Typed
Requires-Python: >=3.11
Requires-Dist: h5netcdf[h5py]>=1.8.1
Requires-Dist: loguru>=0.7.3
Requires-Dist: matplotlib>=3.10.9
Requires-Dist: nautilus-astrochem-code
Requires-Dist: numpy>=2.4.6
Requires-Dist: pint-xarray>=0.6.1
Requires-Dist: pydantic-numpy>=8.0.1
Requires-Dist: pydantic>=2.13.4
Requires-Dist: pyvalem>=2.8
Requires-Dist: tqdm>=4.70
Requires-Dist: tyro>=1.0.13
Requires-Dist: xarray>=2026.4
Description-Content-Type: text/markdown

# Nautilus gas-grain code for astrochemistry

![Stable Version](https://img.shields.io/pypi/v/nautilus_astrochem?style=for-the-badge&label=Stable)
![Python Versions](https://img.shields.io/pypi/pyversions/nautilus_astrochem?style=for-the-badge&label=Python)

> Python CLI for the Nautilus gas-grain astrochemistry code.

[![](https://img.shields.io/badge/doc-Users-green?style=for-the-badge)](https://lab.pages.in2p3.fr/astrochem-tools/nautilus-doc/ "Documentation")

This package is part of the [Nautilus](https://gitlab.in2p3.fr/LAB/astrochem-tools/nautilus) project.

It provides the `nautilus-astrochem` command, a front-end to the Fortran Nautilus code shipped by the
companion package [`nautilus-astrochem-code`](https://pypi.org/project/nautilus-astrochem-code),
plus plotting and post-processing helpers built on xarray.

## Installation

You can use classical tools like `pip` to install the package, in a virtual environment or system wide.
However, system wide installation, using pip, is not recommended, and virtual environments may make the use of the package
more difficult.

The recommended way to install `nautilus-astrochem` is to use the [`uv`](https://docs.astral.sh/uv/).
This tool allows managing python installation, environment and global installed tools easily.

After installing `uv`, you can install the package globally with:

```shell
uv tool install nautilus-astrochem@latest
```

`uv` will install the package in its own virtual environment, and make available the `nautilus-astrochem` command.
The binaries from the `nautilus-astrochem-code` package can also be made available.

> [!TIP]
> You can specify a version of the package to install as such: `uv tool install nautilus-astrochem@<version>`.
> `latest` will query PyPI for the latest version.

## Usage

Each command and subcommand has its own help message.

```shell
nautilus-astrochem --help            # show help
nautilus-astrochem run --help        # run a simulation
nautilus-astrochem run-rates --help  # compute reaction rates
nautilus-astrochem plot --help       # plot abundances / major reactions
nautilus-astrochem version           # Get version of the code
```

## Getting started

To get started with `nautilus-astrochem`, we offer a repository
[nautilus-doc](https://gitlab.in2p3.fr/LAB/astrochem-tools/nautilus-doc),
with scientific documentation and examples of use cases ready to run.
This repository is used to provide the [documentation website](https://lab.pages.in2p3.fr/astrochem-tools/nautilus-doc/),
where the rendered content of the documentation is available.

## Contact

Requests or questions can be sent to valentine.wakelam@u-bordeaux.fr.
