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Fix TaskDoc.from_directory when dir_name != "." (#873)
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* Fix issue with using dir_name != ./ in emmet.core.tasks.TaskDoc

* Revert previous change - actual fix is using path relative to dir_name of TaskDoc.from_directory

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Co-authored-by: esoteric-ephemera <[email protected]>
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esoteric-ephemera and esoteric-ephemera authored Nov 1, 2023
1 parent 9c755a3 commit 123e8ea
Showing 1 changed file with 6 additions and 5 deletions.
11 changes: 6 additions & 5 deletions emmet-core/emmet/core/tasks.py
Original file line number Diff line number Diff line change
Expand Up @@ -951,16 +951,17 @@ def _get_task_files(files, suffix=""):
vol_files = []
elph_poscars = []
for file in files:
file_no_path = file.relative_to(path)
if file.match(f"*vasprun.xml{suffix}*"):
vasp_files["vasprun_file"] = file
vasp_files["vasprun_file"] = file_no_path
elif file.match(f"*OUTCAR{suffix}*"):
vasp_files["outcar_file"] = file
vasp_files["outcar_file"] = file_no_path
elif file.match(f"*CONTCAR{suffix}*"):
vasp_files["contcar_file"] = file
vasp_files["contcar_file"] = file_no_path
elif any(file.match(f"*{f}{suffix}*") for f in volumetric_files):
vol_files.append(file)
vol_files.append(file_no_path)
elif file.match(f"*POSCAR.T=*{suffix}*"):
elph_poscars.append(file)
elph_poscars.append(file_no_path)

if len(vol_files) > 0:
# add volumetric files if some were found or other vasp files were found
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