nanotools.cmd module

Command module.

class nanotools.cmd.Cmd(mpi: str = '', path: list[str] = [PosixPath('/home/guillaume/.local/share/hatch/env/virtual/nanoacademic/cp6ZiMI5/nanoacademic/lib/python3.10/site-packages/_lib'), PosixPath('/home/guillaume/.local/share/hatch/env/virtual/nanoacademic/cp6ZiMI5/nanoacademic/lib/python3.10/site-packages/build/src/rescu_calculators'), PosixPath('/home/guillaume/.local/share/hatch/env/virtual/nanoacademic/cp6ZiMI5/nanoacademic/lib/python3.10/site-packages/build/src/dcal_calculators')], cmd: str | None = None, stdout=None, rescuplus_license: Path | None = None, nanodcalplus_license: Path | None = None, rescuplus_path: Path | None = None, nanodcalplus_path: Path | None = None, preffered_software: str = 'nanodcalplus')[source]

Bases: Base

Cmd class.

mpi

MPI-launcher command.

Type:

string

stdout

Standard output. If specified, the standard output is redirected to the file specified by stdout instead of to screen.

Type:

string

path

Path to the nanodcal+ and rescu+ binaries.

Type:

string

get_cmd(cmdname)[source]

Generates NanoDCAL+ or RESCU+ command for a binary of type cmdname.

For instance, if cmdname = scf, then it searches for nanodcalplus and rescuplus in the path. Then it wraps it with an mpi-launcher command or script, which gives mpiexec -n 4 rescuplus.