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https://github.com/TREX-CoE/trexio.git
synced 2024-08-25 06:31:43 +02:00
Exclude write_determinant_num funcs from the public API
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@ -42,6 +42,10 @@ cat populated/pop_*.h >> trexio.h
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cat hrw_determinant_front.h >> trexio.h
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cat *_determinant_front.c >> trexio.c
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# private API header file
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cat populated/private_pop_front.h >> trexio_private.h
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echo "#endif" >> trexio_private.h
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# fortran front end
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cat populated/pop_*.f90 >> trexio_f.f90
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# add determinant part
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@ -5664,10 +5664,6 @@ contains
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#endif
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#+end_src
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#+begin_src c :tangle trexio_private.h
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#endif
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#+end_src
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#+begin_src f90 :tangle suffix_fortran.f90
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end module trexio
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#+end_src
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@ -37,7 +37,10 @@ def get_files_todo(source_files: dict) -> dict:
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all_files += source_files[key]
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files_todo = {}
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files_todo['all'] = [f for f in all_files if 'read' in f or 'write' in f or 'has' in f or 'flush' in f or 'free' in f or 'hrw' in f or 'delete' in f]
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files_todo['all'] = [
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f for f in all_files
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if 'read' in f or 'write' in f or 'has' in f or 'flush' in f or 'free' in f or 'hrw' in f or 'delete' in f
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]
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for key in ['dset_data', 'dset_str', 'dset_sparse', 'attr_num', 'attr_str', 'group']:
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files_todo[key] = list(filter(lambda x: key in x, files_todo['all']))
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@ -116,6 +119,11 @@ def recursive_populate_file(fname: str, paths: dict, detailed_source: dict) -> N
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'group_dset', 'group_num', 'group_str', 'group']
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for item in detailed_source.keys():
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# special case to exclude write_determinant_num funcs from the public APIs
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if 'determinant_num' in item and 'write' in fname and 'front' in fname and ('.f90' in fname or '.py' in fname):
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continue
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with open(join(templ_path,fname), 'r') as f_in :
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with open(join(templ_path,fname_new), 'a') as f_out :
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num_written = []
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@ -144,7 +152,12 @@ def recursive_populate_file(fname: str, paths: dict, detailed_source: dict) -> N
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# general case of recursive replacement of inline triggers
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else:
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populated_line = recursive_replace_line(line, triggers, detailed_source[item])
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f_out.write(populated_line)
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# special case to include write_determinant_num funcs in the private header
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if 'determinant_num' in item and 'write' in line and 'front.h' in fname:
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with open(join(templ_path,'populated/private_pop_front.h'), 'a') as f_priv:
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f_priv.write(populated_line)
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else:
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f_out.write(populated_line)
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f_out.write("\n")
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