pymatgen.cli.pmg_config module

Implementation for pmg config CLI.

add_config_var(tokens: list[str], backup_suffix: str) None[source]

Add/update keys in .pmgrc.yaml config file.

build_bader(fortran_command='gfortran')[source]

Build bader package.

Parameters

fortran_command

build_enum(fortran_command: str = 'gfortran') bool[source]

Build enum.

Parameters

fortran_command

configure_pmg(args: argparse.Namespace)[source]

Handle configure command.

install_software(install: Literal['enumlib', 'bader'])[source]

Install all optional external software.

setup_potcars(potcar_dirs: list[str])[source]

Setup POTCAR directories.