QCMaterial

Install packages

pip install -r requirements.txt

Launch a notebook server

This project is activated automatically when you launch a server in the project directory.

$ cd $(PROJECTDIR)
$ jupyter lab

Run tests

$ cd $(PROJECTDIR)
$ julia --project=@. test/runtests.jl
$ mpirun -np 2 julia --project=@. test/runtests.jl  # Only if MPI is installed on your system

Run a script file depending on QCMaterial

bash mpirun -np 2 julia --project=~/.julia/dev/QCMaterial ~/.julia/dev/QCMaterial/samples/run.jl