dft_tools/python/clear_h5_output.py

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 ['dft_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])