Installing required libraries on Ubuntu

TRIQS has been installed and tested on Ubuntu 16.04 and later. Earlier versions are not supported.

Install the following packages which are necessary to build TRIQS and use it:

sudo apt-get install cmake g++ gfortran git hdf5-tools \
     libblas-dev libboost-all-dev libfftw3-dev libgfortran3 \
     libhdf5-serial-dev libgmp-dev liblapack-dev libopenmpi-dev \
     python-dev python-h5py python-mako python-matplotlib \
     python-mpi4py python-numpy python-scipy

If you wish to use the ipython/jupyter notebook with triqs, you need to install additional packages depending on your Ubuntu version.

  • For Ubuntu versions 16.04 and 16.10 please install:

    sudo apt-get install ipython ipython-notebook

  • For Ubuntu 17.04 and later please install:

    sudo apt-get install python-notebook

C++ compiler

The default compiler on e.g. Ubuntu 16.04 (xenial) is gcc 5.4.0, which is too old to compile the latest version of TRIQS.

Note

The instructions below address Ubuntu 16.04 (xenial). In Ubuntu 18.04 (bionic), please consider using the respective standard apt packages instead.

We recommend to upgrade to gcc version 7 using the Ubuntu Toolchain test builds with the following commands:

sudo apt-get install software-properties-common
sudo add-apt-repository ppa:ubuntu-toolchain-r/test
sudo apt-get update
sudo apt-get upgrade
sudo apt-get install g++-7

In a second step, set the C/C++ compiler for your environment:

export CC=gcc-7
export CXX=g++-7

You can make this choice permanent by adding these two lines to your $HOME/.bash_profile.

C++2py

For full functionality of the C++2Py Tool, a recent version of the libclang library is required. While a recent version is packaged with Ubuntu 18.04 (bionic), more steps are required on Ubuntu 16.04 (xenial).

  • As a first step you will need to install the g++-7 package as described in the first set of commands above.

  • In a second step we install version 6.0 of clang and libclang from the apt.llvm.org repositories:

    source /etc/lsb-release
sudo add-apt-repository 'deb http://apt.llvm.org/$DISTRIB_CODENAME/ llvm-toolchain-$DISTRIB_CODENAME-6.0 main' -y
curl -L https://apt.llvm.org/llvm-snapshot.gpg.key | sudo apt-key add -
sudo apt-get update && sudo apt-get install clang-6.0 libclang-6.0-dev python-clang-6.0

If you are using the Ubuntu 16.04 (xenial) debian packages, you should permanently set the following environment variables:

export LIBCLANG_LOCATION=/usr/lib/llvm-6.0/lib/libclang.so
export LIBCLANG_CXX_FLAGS="-I/usr/include/x86_64-linux-gnu/c++/7"

Issues

If you encounter compile-time error messages such as:

fatal error: mpi.h: No such file or directory
fatal error: H5public.h: No such file or directory

make sure that the include directories of your openmpi and hdf5 installation are in the CPLUS_INCLUDE_PATH environment variable:

export CPLUS_INCLUDE_PATH=/usr/include/openmpi:/usr/include/hdf5/serial/:$CPLUS_INCLUDE_PATH