release v1.4

Author: wxj6000

pyscf/dispersion/__init__.py

@@ -1 +1 @@
-__version__ = '1.3.0'
+__version__ = '1.4.0'

pyscf/dispersion/dftd4.py

@@ -49,9 +49,17 @@ def __init__(self, mol, xc, version='d4', ga=None, gc=None, wf=None, atm=False):
         self._param = None
 
         log = lib.logger.new_logger(mol)
+        import pyscf
+        from packaging import version
+        if version.parse(pyscf.__version__) <= version.parse('2.9.0'):
+
         # https://github.com/dftd4/dftd4/pull/276
         if xc_lc == 'wb97x':
-            log.warn('The previous wb97x is renamed as wb97x-2008. Now D4 dispersion for wb97x is the replacement of vv10 in wb97x-v. See https://github.com/dftd4/dftd4/blob/main/README.md')
+            log.warn('The previous wb97x is renamed as wb97x-2008. \
+                     Since pyscf-dispersion v1.4, D4 dispersion for wb97x is \
+                     the replacement of vv10 in wb97x-v.  \
+                     See https://github.com/dftd4/dftd4/blob/main/README.md')
+        
         coords = np.asarray(mol.atom_coords(), dtype=np.double, order='C')
         charge = np.array([mol.charge], dtype=np.double)
         nuc_types = [gto.charge(mol.atom_symbol(ia))