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

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

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

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

   * - Library
     - Purpose
   * - `GSL <https://www.gnu.org/software/gsl/>`_
     - Multidimensional root-finding
   * - `HDF5 <https://www.hdfgroup.org/solutions/hdf5/>`_
     - Input/output tables (C++ API)
   * - `yaml-cpp <https://github.com/jbeder/yaml-cpp>`_
     - Configuration file parsing
   * - `CGAL <https://www.cgal.org/>`_
     - Delaunay triangulation
   * - OpenMP
     - Parallel grid evaluation
   * - CMake >= 3.5, C++17 compiler
     - Build toolchain

**Ubuntu / Debian**

.. code-block:: bash

   sudo apt install \
       libgsl-dev \
       libhdf5-dev \
       libyaml-cpp-dev \
       libcgal-dev libgmp-dev libmpfr-dev

**macOS (Homebrew)**

.. code-block:: bash

   brew install gsl hdf5 yaml-cpp cgal libomp

On macOS the OpenMP runtime is provided by ``libomp``, which Homebrew keeps
keg-only. Point CMake at it when configuring:

.. code-block:: bash

   cmake -S . -B build -DOpenMP_ROOT="$(brew --prefix libomp)"

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

From the repository root:

.. code-block:: bash

   cmake -S . -B build
   cmake --build build -j

The compiled binary is ``build/generate_eos_table``.

To also build and run the unit tests:

.. code-block:: bash

   cmake -S . -B build -DENABLE_TESTING=ON
   cmake --build build -j
   cd build && ctest --output-on-failure

Docker
------

Build the image from the repository root:

.. code-block:: bash

   docker build --platform linux/amd64 -t eos-inverter .

Run the inverter by mounting your input EoS directory and an output directory:

.. code-block:: bash

   docker run --rm \
       --platform linux/amd64 --user $(id -u):$(id -g) \
       -v /path/to/my/config:/opt/input \
       -v /path/to/output:/opt/output \
       eos-inverter \
       ./build/generate_eos_table input/config.yaml

Inside the container the working directory is ``/opt/``. Ensure your ``config.yaml``'s ``input.path`` points directly to the EoS table file, using a path relative to ``/opt`` (e.g. ``input.path: input/thermo.csv``). If the table file lives in its own mounted directory, mount it separately (e.g. ``-v /path/to/my/eos:/opt/eos`` and set ``input.path: eos/thermo.csv``).