Closed jpabatista closed 1 year ago
https://github.com/tdep-developers/tdep-tutorials/blob/ee5acca640f15113403670adb64e87ef83c9b28a/01_sampling/example_materials/MgO/README.md?plain=1#L20
╭───────────────────── Traceback (most recent call last) ──────────────────────╮ │ /home/jpabatista/Work/tdep-tutorials/venv/lib/python3.8/site-packages/tdepto │ │ ols/scripts/tdep_create_sample_folders.py:41 in main │ │ │ │ 38 │ │ atoms.write(fol / outfile, format=format) │ │ 39 │ │ │ │ 40 │ │ # move original file as well for reference │ │ ❱ 41 │ │ shutil.move(file, fol) │ │ 42 │ │ │ │ 43 │ │ if files_control is not None: │ │ 44 │ │ │ for file in files_control: │ │ │ │ ╭───────────────────────────────── locals ─────────────────────────────────╮ │ │ │ _a = 'contcar_conf0001' │ │ │ │ _b = 'vasp' │ │ │ │ _c = 'aims' │ │ │ │ _d = 'samples/sample.00001/geometry.in' │ │ │ │ atoms = Atoms(symbols='Mg108O108', pbc=True, │ │ │ │ cell=[12.67727773641, 12.67727773641, 12.67727773641]) │ │ │ │ base_folder = 'samples' │ │ │ │ file = PosixPath('contcar_conf0001') │ │ │ │ files = [ │ │ │ │ │ PosixPath('contcar_conf0001'), │ │ │ │ │ PosixPath('contcar_conf0002'), │ │ │ │ │ PosixPath('contcar_conf0003'), │ │ │ │ │ PosixPath('contcar_conf0004') │ │ │ │ ] │ │ │ │ files_control = [] │ │ │ │ fol = PosixPath('samples/sample.00001') │ │ │ │ folder = 'sample' │ │ │ │ force = False │ │ │ │ format = 'aims' │ │ │ │ format_in = 'vasp' │ │ │ │ ii = 0 │ │ │ │ outfile = 'geometry.in' │ │ │ ╰──────────────────────────────────────────────────────────────────────────╯ │ │ │ │ /usr/lib/python3.8/shutil.py:787 in move │ │ │ │ 784 │ │ │ os.rename(src, dst) │ │ 785 │ │ │ return │ │ 786 │ │ │ │ ❱ 787 │ │ real_dst = os.path.join(dst, _basename(src)) │ │ 788 │ │ if os.path.exists(real_dst): │ │ 789 │ │ │ raise Error("Destination path '%s' already exists" % real │ │ 790 │ try: │ │ │ │ ╭────────────────────── locals ──────────────────────╮ │ │ │ copy_function = <function copy2 at 0x7fa2309fba60> │ │ │ │ dst = PosixPath('samples/sample.00001') │ │ │ │ real_dst = PosixPath('samples/sample.00001') │ │ │ │ src = PosixPath('contcar_conf0001') │ │ │ ╰────────────────────────────────────────────────────╯ │ │ │ │ /usr/lib/python3.8/shutil.py:750 in _basename │ │ │ │ 747 │ # A basename() variant which first strips the trailing slash, if │ │ 748 │ # Thus we always get the last component of the path, even for dir │ │ 749 │ sep = os.path.sep + (os.path.altsep or '') │ │ ❱ 750 │ return os.path.basename(path.rstrip(sep)) │ │ 751 │ │ 752 def move(src, dst, copy_function=copy2): │ │ 753 │ """Recursively move a file or directory to another location. This │ │ │ │ ╭─────────────── locals ───────────────╮ │ │ │ path = PosixPath('contcar_conf0001') │ │ │ │ sep = '/' │ │ │ ╰──────────────────────────────────────╯ │ ╰──────────────────────────────────────────────────────────────────────────────╯ AttributeError: 'PosixPath' object has no attribute 'rstrip'
fixed in https://github.com/flokno/tools.tdep/commit/6e76fabfcedb8007f7ce0e01727598e1b1ab648d
thanks!
flokno
commented
1 year ago flokno
commented
1 year ago
https://github.com/tdep-developers/tdep-tutorials/blob/ee5acca640f15113403670adb64e87ef83c9b28a/01_sampling/example_materials/MgO/README.md?plain=1#L20