/utilities

Primary LanguageC++BSD 3-Clause "New" or "Revised" LicenseBSD-3-Clause

SCINE - Open Source Utilities

Introduction

This repository contains functionality which is used in most SCINE modules. 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 this repository.

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 Open Source Utilities 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 interfacing this library directly.

Dependencies

  • A C++ compiler supporting the C++14 standard (we recommend GCC 7.3.0)
  • cmake (at least version 3.9.0)
  • The Boost libraries (we recommend version 1.64.0)
  • Eigen (we recommend version 3.3.2)

Installation

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

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

Support and Contact

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