mirror of
https://github.com/triqs/dft_tools
synced 2024-11-18 03:53:48 +01:00
11d394fd5b
* moved the plovasp C++ code to c++/triqs_dft_tools/converters/vasp * added global header triqs_dft_tools/triqs_dft_tools.hpp * python dir based on single cmakelist file * registered C++ tests for plovasp * corrected imports for py3 tests for plovasp * corrected block order in sigma_from_file and srvo3_Gloc * exchanged ref files for sigma_from_file, srvo3_Gloc, SrVO3.ref.h5 * moved vasp converter bash scripts from dir shells to bin dir
27 lines
650 B
Python
27 lines
650 B
Python
import h5py
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import sys
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import subprocess
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if len(sys.argv) < 2:
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print("Usage: python clear_h5_output.py archive")
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sys.exit()
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print("""
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This script is to remove any SumkDFT generated output from the h5 archive
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and to restore it to the original post-converter state.
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""")
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filename = sys.argv[1]
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A = h5py.File(filename)
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for group in ['dmft_output', 'user_data']:
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if group in A:
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del(A[group])
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A.close()
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# Repack to reclaim disk space
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retcode = subprocess.call(["h5repack", "-i%s" % filename, "-otemphgfrt.h5"])
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if retcode != 0:
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print("h5repack failed!")
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else:
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subprocess.call(["mv", "-f", "temphgfrt.h5", "%s" % filename])
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