\(\newcommand{\AA}{\text{Å}}\)
Installation#
Create a Python environment (recommended)#
It is recommended to install \(\mathrm{LModeA\text{-}}\vec{\mathbf{k}}\) in a dedicated Python environment to avoid dependency conflicts with other packages.
Using conda:
conda create -n lmodea python=3.11
conda activate lmodea
Using venv:
python -m venv lmodea
source lmodea/bin/activate
Install via pip from GitHub (recommended)#
pip install git+https://github.com/SMU-CATCO/LModeA-k.git
This installs the lmodea-k and lmodea-k-plot command-line tools into the active Python environment.
To install the optional CRYSTAL parser dependencies as well:
pip install "git+https://github.com/SMU-CATCO/LModeA-k.git#egg=LModeA-k[crystal]"
Install from a local checkout (alternative)#
git clone https://github.com/SMU-CATCO/LModeA-k.git
cd LModeA-k
pip install .
To include the optional CRYSTAL parser dependencies from a local checkout:
pip install .[crystal]
Verify installation#
lmodea-k --help
If the command prints usage information, the installation was successful.
Requirements and notes#
Python ≥ 3.10.
Network access is needed the first time to fetch dependencies.
PyPI/conda packages may be provided in the future; for now, use one of the methods above.
Building the docs (optional)#
Docs are not required to run the code. To build them locally:
pip install -r docs/requirements.txt
cd docs
make clean html
HTML output: docs/build/html/index.html.