Yambopy via conda: Difference between revisions
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* 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: | * 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 | conda install numpy scipy netcdf4 matplotlib pyyaml lxml pandas | ||
pip install pymatgen | pip install pymatgen | ||
pip install abipy | pip install abipy | ||
then install Yambopy | |||
git clone https://github.com/yambo-code/yambopy.git | git clone https://github.com/yambo-code/yambopy.git | ||
cd yambopy | cd yambopy | ||
python setup.py install | python setup.py install | ||
Revision as of 12:42, 2 April 2022
For the installation of Yambopy we suggest to use conda in order to be sure to have all the Yambopy features available.
- 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