QEpy turns Quantum ESPRESSO (QE) into a Python DFT engine for nonstandard workflows.
Using pip can easy install the release version (serial) of QEpy from PyPI.
python -m pip install qepy
QE
All source codes should be compiled with the -fPIC compuiler option. Add -fPIC to the configuration options. E.g.,
./configure CFLAGS=-fPIC FFLAGS=-fPIC try_foxflags=-fPIC
make all
export qedir=`pwd`
QEpy
git clone --recurse-submodules https://gitlab.com/shaoxc/qepy.git
python -m pip install -U ./qepy
See QEpy's website for details.
FAQs
QEpy: Quantum ESPRESSO Python interface
We found that qepy demonstrated a healthy version release cadence and project activity because the last version was released less than a year ago. It has 1 open source maintainer collaborating on the project.
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