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GreenX Library

The Green X library is developed under Work Package 2 of the NOMAD Center of Excellence.

Installation

Green X has been designed as a collection of libraries, which can be built relatively independently of one another. To build the whole suite of Green X libraries from the source you need to have a Fortran compiler supporting Fortran 2008, and one of the supported build systems:

  • cmake version 3.0.2 or newer, with a build-system backend, i.e. make

Building with CMake

To build all libraries, set up a build directory:

mkdir build 

Change to the directory and run cmake configuration:

cmake ../

If all requirements are found, build and install the project:

make -j
make install 

Running the Tests

GreenX uses pytest as its regression testing framework, in conjunction with some custom python modules. First, one must ensure that the python utilities are installed. From the GreenX root directory:

cd python
pip install -e .

One notes that the user may wish to change the scope of pip install to the Python user install directory of their platform. Typically ~/.local/. This can be achieved with:

pip install --user -e .

unless working in a virtual environment, in which case it is not required.

The test suite can now be run with CMake's ctest command:

cd build
ctest

Usage

TODO Document

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  • Fortran 67.7%
  • Python 18.0%
  • CMake 10.5%
  • Makefile 3.8%