Compilation and Installation

Procedure

1. Use PuTTY to log in to the server as the root user.
2. (Optional) Configure the virtual environment if needed.

   pip install virtualenv
   virtualenv phono3py
   source phono3py/bin/activate

3. Go to the source package directory and decompress the source package.

   cd /path/to/PHONO3PY && tar -zxf v2.3.2.tar.gz

4. Install the Python dependencies.

   pip3 install numpy
   pip3 install scipy
   pip3 install phonopy

5. Add configuration files.

   cd phono3py-2.3.2/
   echo "[phono3py]" > site.cfg
   echo "extra_compile_args = -fopenmp" >> site.cfg
   echo "extra_link_args = -lgomp" >> site.cfg

6. Import the OpenBLAS header file configuration.

   export C_INCLUDE_PATH=/path/to/OPENBLAS/openblas/include
   export CPLUS_INCLUDE_PATH=/path/to/OPENBLAS/openblas/include

7. Install Phono3py.

   python3 setup.py install