Helium

Copyright (C) 2013-2014, Tim Vandermeersch tim.vandermeersch@gmail.com

Website: http://www.moldb.net

Build Instructions

Dependencies

Boost C++ libraries: http://www.boost.org
Eigen3: http://eigen.tuxfamily.org/

Linux

Building Helium on linux is easy and can be accomplished using the steps below:

$ tar zxvf helium-0.1.0.tar.gz $ cd helium-0.1.0 $ mkdir build $ cd build $ cmake [options] .. $ make $ make test $ sudo make install

options:

• to build with python support: -DENABLE_PYTHON=ON
• to build the RESTful service: -DENABLE_SERVICE=ON
• to build with OpenBabel 2 support: -DENABLE_OPENBABEL=ON

Mac OSX

Building on mac without python support is also easy when using the boost C++
libraries provided by ports/homebrew. The instructions are the same as linux
in this case.

If python support is needed care has to be taken to ensure the same version
of python is used. The instructions below use python 2.7 from
/System/Library/Frameworks but other versions should work as well.

Building boost:

$ tar zxvf boost_1_55_0.tar.gz
$ cd boost_1_55_0
$ ./bootstrap.sh
$ ./b2

Building Helium:

$ tar zxvf helium-x.y.z.tar.gz
$ cd helium-x.y.z
$ mkdir build
$ cd build
$ cmake -DENABLE_PYTHON=ON -DPYTHON_LIBRARY=/System/Library/Frameworks/Python.framework/Versions/2.7/Python -DPYTHON_INCLUDE_DIR=/System/Library/Frameworks/Python.framework/Versions/2.7/include/python2.7 -DPYTHON_EXECUTABLE=/System/Library/Frameworks/Python.framework/Versions/2.7/bin/python -DBOOST_ROOT=~/boost_1_55_0 -DBoost_USE_STATIC_LIBS=ON ..
$ make
$ make test
$ sudo make install

Windows

These instructions were tested using Microsoft Visual Studio 10 2010.

1) Download and install python 2.7.7 2) Download Eigen3 and unzip to C:\Eigen3 3) Download boost and unzip boost_1_55_0.zip to C:\boost_1_55_0

C:\boost_1_55_0> bootstrap.bat C:\boost_1_55_0> .\b2.exe variant=release link=static runtime-link=static

4) Build Helium:

C:> cd helium-x.y.z C:\helium-x.y.z> mkdir build C:\helium-x.y.z> cd build C:\helium-x.y.z\build> cmake -DCMAKE_BUILD_TYPE=Release -DENABLE_PYTHON=ON -DEIGEN3_INCLUDE_DIR=c:\Eigen3 -DBOOST_ROOT=C:/boost_1_55_0 -G "NMake Makefiles" ..