Installation
============

C++ Build
---------

Dependencies
~~~~~~~~~~~~

.. list-table::
   :header-rows: 1
   :widths: 30 70

   * - Library
     - Purpose
   * - GCC ≥ 11 (C++20)
     - Compiler
   * - `CGAL <https://www.cgal.org/>`_
     - Delaunay triangulation for 2D interpolation
   * - `GSL <https://www.gnu.org/software/gsl/>`_
     - Cubic spline derivatives
   * - `Ceres Solver <http://ceres-solver.org/>`_
     - Non-linear least squares and root-finding
   * - `yaml-cpp <https://github.com/jbeder/yaml-cpp>`_
     - YAML configuration parsing
   * - gflags / glog
     - Ceres runtime dependencies
   * - `GoogleTest <https://github.com/google/googletest>`_
     - Unit tests only

On Debian/Ubuntu:

.. code-block:: bash

   apt-get install g++ make libcgal-dev libgsl-dev libceres-dev libyaml-cpp-dev libgtest-dev

Building from source
~~~~~~~~~~~~~~~~~~~~

.. code-block:: bash

   cd src
   make

The compiled binary is ``src/bulk``.

Docker
------

A pre-built image is available on the MUSES GitLab registry:

.. code-block:: bash

   docker pull registry.gitlab.com/nsf-muses/saturation-properties:latest
   docker run -v $(pwd)/input:/opt/input -v $(pwd)/output:/opt/output \
       registry.gitlab.com/nsf-muses/saturation-properties:latest /bin/bash -c "cd src && ./bulk"

To build locally from the provided Dockerfile instead:

.. code-block:: bash

   docker build -t saturation-properties .
   docker run -v $(pwd)/input:/opt/input -v $(pwd)/output:/opt/output \
       saturation-properties /bin/bash -c "cd src && ./bulk"

Python utilities (optional)
---------------------------

The config validation and generation scripts require Python:

.. code-block:: bash

   pip install -r requirements.txt

Required packages: ``openapi-core==0.19.4``, ``pyyaml``.