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fixed obabel package
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lmdu committed Jan 30, 2022
1 parent 698e058 commit a53f5f6
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Showing 5 changed files with 6 additions and 17 deletions.
4 changes: 2 additions & 2 deletions hooks/hook-openbabel.py
Original file line number Diff line number Diff line change
@@ -1,2 +1,2 @@
from PyInstaller.utils.hooks import collect_data_files
datas = collect_data_files('openbabel')
from PyInstaller.utils.hooks import collect_all
datas, binaries, _ = collect_all('openbabel')
7 changes: 0 additions & 7 deletions hooks/pyi_rth_openbabel.py

This file was deleted.

6 changes: 3 additions & 3 deletions package/build_win.spec
Original file line number Diff line number Diff line change
Expand Up @@ -11,7 +11,7 @@ a = Analysis(['../src/main.py'],
hiddenimports=[],
hookspath=['hooks'],
hooksconfig={},
runtime_hooks=['hooks/pyi_rth_openbabel.py'],
runtime_hooks=[],
excludes=['FixTk', 'tcl', 'tk', '_tkinter', 'tkinter', 'Tkinter',
'sqlite3', 'pkg_resources', 'multiprocessing', 'PySide6.QtQml',
'PySide6.QtNetwork', 'PySide6.QtQuick'
Expand All @@ -28,11 +28,11 @@ exe = EXE(pyz,
[],
exclude_binaries=True,
name='Dockey',
debug=True,
debug=False,
bootloader_ignore_signals=False,
strip=False,
upx=True,
console=True,
console=False,
disable_windowed_traceback=False,
target_arch=None,
codesign_identity=None,
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2 changes: 1 addition & 1 deletion src/config.py
Original file line number Diff line number Diff line change
Expand Up @@ -9,7 +9,7 @@

DOCKEY_VERSION = "0.2.0"

DOCKEY_BUILD = "220126"
DOCKEY_BUILD = "220130"

DOCKEY_ABOUT = """
<p>Dockey - Molecular Docking and Virtual Screening</p>
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4 changes: 0 additions & 4 deletions src/utils.py
Original file line number Diff line number Diff line change
Expand Up @@ -213,10 +213,6 @@ def get_molecule_information(mol_file):
obc.ReadFile(mol, mol_file)
des = openbabel.OBDescriptor.FindType('logP')

print(os.environ['BABEL_LIBDIR'])
print(os.environ['BABEL_DATADIR'])
print(os.environ['BABEL'])

return AttrDict(
name = mol_name,
atoms = mol.NumAtoms(),
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