import h5py import sys import subprocess if len(sys.argv) < 2: print("Usage: python clear_h5_output.py archive") sys.exit() print(""" This script is to remove any SumkDFT generated output from the h5 archive and to restore it to the original post-converter state. """) filename = sys.argv[1] A = h5py.File(filename) for group in ['dmft_output', 'user_data']: if group in A: del(A[group]) A.close() # Repack to reclaim disk space retcode = subprocess.call(["h5repack", "-i%s" % filename, "-otemphgfrt.h5"]) if retcode != 0: print("h5repack failed!") else: subprocess.call(["mv", "-f", "temphgfrt.h5", "%s" % filename])