Installation

From PyPI (recommended)

pip install jwspecfit

Or with all optional extras (MCMC backends, abundances, DLA fitter):

pip install "jwspecfit[nuts,mcmc,abund,dla]"

From source (development)

git clone https://github.com/raunaq-rai/jwspecfit.git
cd jwspecfit
pip install -e ".[dev]"

The -e (editable) install is recommended during development so local edits are picked up without reinstalling.

Optional extras

jwspecfit ships with optional dependency groups. Combine them as needed (works for both PyPI and editable installs):

pip install "jwspecfit[nuts]"     # JAX + NumPyro — recommended MCMC backend
pip install "jwspecfit[mcmc]"     # emcee + nautilus + corner + h5py
pip install "jwspecfit[abund]"    # PyNEB for chemical abundances
pip install "jwspecfit[dev,nuts,mcmc,abund]"   # everything

Extra	Installs	Enables
`dev`	`pytest`, `ruff`	Test suite and linting
`nuts`	`jax`, `jaxlib`, `numpyro`	NUTS HMC sampler (default backend for `jwspecmcmc`)
`mcmc`	`emcee`, `nautilus-sampler`, `corner`, `h5py`	`emcee` and `nautilus` backends, HDF5 save/load
`abund`	`pyneb`	Direct-T_e abundance computations in `jwspecabund`

Requirements

Python: ≥ 3.10
Core: numpy, scipy, astropy, matplotlib, tqdm, joblib, plotly
Optional: as listed above

Verifying the install

import jwspecfit, jwspecmcmc, jwspecabund
print(jwspecfit.__version__)
print(jwspecmcmc.__version__)
print(jwspecabund.__version__)

Run the test suite:

pytest tests/ -v

Conda

If you maintain a conda environment (recommended for JWST work so the pipeline and CRDS tooling sit alongside jwspecfit), create it once:

conda create -n jwst python=3.11
conda activate jwst
pip install -e ".[dev,nuts,mcmc,abund]"