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SCINE - Core

Introduction

Core provides the functionality necessary to couple the individual SCINE modules together. It is vital for the correct functioning of all SCINE modules, but it does not directly provide any functionality for end users. Therefore, only developers of SCINE need to directly interact with Core.

License and Copyright Information

For license and copyright information, see the file LICENSE.txt in this directory.

Installation and Usage

As a user of one of the SCINE modules (such as Sparrow), you do not need to set up Core yourself. Instead, this is done as part of the installation process of the respective SCINE module. Therefore, the following instructions are only necessary for developers of SCINE, or those implementing the interfaces defined here.

Dependencies

Required software, minimum required versions in brackets, for this SCINE project are: - A C++ compiler supporting the C++17 standard - CMake (3.9) - Boost (1.65.0)

Installation

In order to compile this as a SCINE developer, execute the following commands:

git submodule init
git submodule update
mkdir build
cd build
cmake -DCMAKE_BUILD_TYPE=Release -DCMAKE_INSTALL_PREFIX=../inst ..
make -j 4
make CoreDocumentation
make test
make install

Usage

The main usage guidelines can be found in the part of the developers documentation that is shared across all projects associated with SCINE.

Support and Contact

In case you should encounter problems or bugs, please write a short message to scine@phys.chem.ethz.ch.

Third-Party Libraries Used

SCINE Core makes use of the following third-party libraries: