ObjCryst++ repackaged for installation as a system shared library.

ObjCryst++ is Object-Oriented Crystallographic Library for C++ developed by Vincent Favre-Nicolin. libobjcryst is a mirror of the ObjCryst++ sources from https://sourceforge.net/projects/objcryst, expanded with SCons build scripts to make it easier to install as a system shared library. libobjcryst does not include GUI related files from ObjCryst++. This distribution contains required sources from cctbx and newmat that are used in ObjCryst++.

For more information about the ObjCryst++ library, see the upstream project at http://objcryst.sourceforge.net. For Python bindings to ObjCryst++ see the pyobjcryst project at https://github.com/diffpy/pyobjcryst.

libobjcryst requires C++ compiler and the following software:

• scons - software constructions tool (1.0 or later)
• libboost-dev - Boost C++ libraries development files

Required software is commonly available in the system package manager, for example, on Ubuntu Linux the dependencies can be installed as:

sudo apt-get install build-essential scons libboost-dev

libobjcryst is also available as a pre-compiled package for Anaconda Python and it gets automatically installed together with pyobjcryst for Anaconda.

Use sources from the git repository or extract the latest libobjcryst bundle from https://github.com/diffpy/libobjcryst/releases/latest.

tar xzf libobjcryst-VERSION.tar.gz
cd libobjcryst-VERSION

To build and install the libobjcryst library use

sudo scons -j4 install

This installs libobjcryst for all users under the /usr/local directory. If administrator (root) access is not available, see the output from scons --help for options to install to a user-writable location.

To verify libobjcryst installation, compile and run the included test code examples/testlib.cpp

cd examples
c++ testlib.cpp -lObjCryst
./a.out

If there is an error due to missing headers or missing libObjCryst library, adjust the CPATH and LIBRARY_PATH environment variables or use the -I and -L compiler options. If the libObjCryst shared library cannot be found at runtime, add a -Wl,-rpath,SomePath option to the c++ command or adjust the LD_LIBRARY_PATH environment variable.

The libobjcryst library is available in the "diffpy" channel of Anaconda packages

conda config --add channels diffpy
conda install libobjcryst

libobjcryst is also included in the "diffpy-cmi" collection of packages for structure analysis

conda install diffpy-cmi

When compiling with the Anaconda version of libobjcryst it is essential to specify header path, library path and runtime path of the active Anaconda environment

# resolve prefix directory P of the active Anaconda environment
P="$(conda info --json | grep default_prefix | cut -d\" -f4)"
cd examples
c++ testlib.cpp -I$P/include -L$P/lib -Wl,-rpath,$P/lib -lObjCryst
./a.out

Note the Anaconda version of libobjcryst is built with C++ compilers provided by Anaconda. This may cause incompatibility with system C++. In such case please use Anaconda C++ to link with libobjcryst.