Yambopy via conda: Difference between revisions
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* Start installing [https://www.anaconda.com/products/distribution#Downloads Anaconda] or [https://docs.conda.io/en/latest/miniconda.html Miniconda]. | * Start installing [https://www.anaconda.com/products/distribution#Downloads Anaconda] or [https://docs.conda.io/en/latest/miniconda.html Miniconda]. | ||
* 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 [https://github.com/nicspalla/my-repo Spack]) or [[Yambo via Docker|using the Docker container]], you can stay with the basic conda channel: | ||
first install the prerequisites (needed only for Miniconda) | 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 | ||
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pip install abipy | pip install abipy | ||
then install Yambopy | then install Yambopy | ||
git clone https://github.com/yambo-code/yambopy.git | |||
cd yambopy | |||
python setup.py install | |||
* It is possible to install also Yambo and Quantum-ESPRESSIO 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 qe | |||
pip install pymatgen | |||
pip install abipy | |||
finaly 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 12:55, 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
- It is possible to install also Yambo and Quantum-ESPRESSIO 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 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