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gmatteo committed Aug 31, 2023
1 parent 3f7bce8 commit 6fb84b9
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15 changes: 15 additions & 0 deletions abipy/flowtk/psrepos.py
Original file line number Diff line number Diff line change
Expand Up @@ -139,6 +139,21 @@ def get_repo_from_name(repo_name: str) -> PseudosRepo:
raise KeyError(f"Couldn't find {repo_name} in the list of registered repos:\n{all_names}")


#def get_pseudos(xc_name, ps_type: str, relativity_type: str = "SR", accuracy="standard")
# if ps_type == "NC":
# repo_name = {
# "PBE": "ONCVPSP-PBE-SR-PDv0.4",
# "PBEsol": "ONCVPSP-PBEsol-SR-PDv0.4",
# "LDA": "ONCVPSP-LDA-SR-PDv0.4",
# }[xc_name]
# elif ps_type == "PAW":
# raise ValueError(f"Invalid {ps_type=}")
# else:
# raise ValueError(f"Invalid {ps_type=}")
# pseudos = get_repo_from_name(repo_name).get_pseudos(accuracy)
# return pseudos


def get_installed_repos_and_root(dirpath: Optional[str] = None) -> tuple[list[PseudosRepo], str]:
"""
Return (all_repos, dirpath)
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