Yambopy via conda

For the installation of Yambopy we suggest to use conda in order to be sure to have all the Yambopy features available.

• Start installing Anaconda or Miniconda.

Basic Conda

• If you need only Yambopy because you are able (or you prefer) to install Yambo and Quantum-ESPRESSO by yourself (from source or Spack) or using the Docker container, you can stay with the basic conda channel:

first install the prerequisites (needed only for Miniconda)

conda install numpy scipy netcdf4 matplotlib pyyaml lxml pandas
pip install pymatgen
pip install abipy

then install Yambopy

git clone https://github.com/yambo-code/yambopy.git
cd yambopy
python setup.py install

Advanced Conda (including Yambo and QE)

• It is possible to install also Yambo (up to v5.0.4) and Quantum-ESPRESSO via conda-forge (a conda channel/repository):

first we suggest to create a conda environment and activate it:

conda create --name yambopy -c conda-forge
conda activate yambopy

then you can install the prerequisites and the two codes:

conda install numpy scipy netcdf4 matplotlib pyyaml lxml pandas
conda install yambo 
conda install qe
pip install pymatgen
pip install abipy

finaly install Yambopy

git clone https://github.com/yambo-code/yambopy.git
cd yambopy
python setup.py install