QPP Libraries for Computational Chemistry

You compiler must support C++11 standard(g++>6.X).

We recommend to use out-of-source build as follows:

• Create temporary directory

mkdir ./build

• Run cmake and then make

cd ./build
cmake .. 
make

Build flags

You can customize your build by using special configuration options:

cmake .. -D<Build Flag Name>=<Flag value>

Build flag	Description	Value Type(Default)
BUILD_EXAMPLES	Build examples	Bool(ON)
BUILD_DOC	Build HTML documentation	Bool(OFF)
BUILD_QC	Build quantum chemistry code	Bool(OFF)
BUILD_TESTS	Build tests executable	Bool(OFF)
PYTHON_BINDINGS	Build python bindings	Bool(ON)
PYBIND11_PYTHON_VERSION	Determine python version	String(3)

CI

• Travis CI OSX/Linux:

Docs

QPP C++ api : https://nvpopov.github.io/qppdoc/