meddwl / psearch

3D ligand-based pharmacophore modeling
BSD 3-Clause "New" or "Revised" License
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Output argument of screen_db does not take file name as a value #12

Open DrrDom opened 1 year ago

DrrDom commented 1 year ago

When run screen_db -d 1.dat -o output.txt -q model.xyz it returns an error

Traceback (most recent call last):
  File "/home/pavel/anaconda3/envs/rdkit-2103/bin/screen_db", line 33, in <module>
    sys.exit(load_entry_point('psearch', 'console_scripts', 'screen_db')())
  File "/home/pavel/python/psearch/psearch/screen_db.py", line 205, in entry_point
    screen_db(db_fname=args.dbname,
  File "/home/pavel/python/psearch/psearch/screen_db.py", line 157, in screen_db
    os.makedirs(os.path.dirname(output), exist_ok=True)
  File "/home/pavel/anaconda3/envs/rdkit-2103/lib/python3.9/os.py", line 225, in makedirs
    mkdir(name, mode)
FileNotFoundError: [Errno 2] No such file or directory: ''

While the command screen_db -d 1.dat -o output -q model.xyz works fine and creates a dir output with proper files inside

This affects the current lib branch version.