@@ -48,6 +48,7 @@ def check_dependencies():
4848 print ('{0:<15}{1:<15}{2}' .format ('Package' , 'Version' , 'Location' ))
4949
5050 missing = {
51+ 'cantera' : _check_cantera (),
5152 'openbabel' : _check_openbabel (),
5253 'pydqed' : _check_pydqed (),
5354 'pyrdl' : _check_pyrdl (),
@@ -57,9 +58,18 @@ def check_dependencies():
5758
5859 if any (missing .values ()):
5960 print ("""
61+ ╔═══════════════════════════════════════════════════════════════════════════╗
62+ ║ ! ! ║
63+ ║ ! ! WARNING: MISSING DEPENDENCIES ! ! ║
64+ ║ !!!!! !!!!! ║
65+ ╚═══════════════════════════════════════════════════════════════════════════╝
66+
6067There are missing dependencies as listed above. Please install them before proceeding.
6168
6269 conda env update -f environment.yml
70+
71+ Or (often better) make a new conda environment and restart the installation instructions.
72+ See https://reactionmechanismgenerator.github.io/RMG-Py/users/rmg/installation
6373
6474Be sure to activate your conda environment (rmg_env by default) before installing or updating.
6575""" )
@@ -68,6 +78,35 @@ def check_dependencies():
6878Everything was found :)
6979""" )
7080
81+ def _check_cantera ():
82+ """Check for Cantera with version >= 3.0"""
83+ missing = False
84+
85+ try :
86+ import cantera
87+ except ImportError :
88+ print ('{0:<30}{1}' .format ('Cantera' ,
89+ 'Not found. Necessary for output file writing and utilities.' ))
90+ missing = True
91+ else :
92+ version = cantera .__version__
93+ location = cantera .__file__
94+
95+ # Parse version string to compare (e.g., "3.0.0" -> (3, 0))
96+ try :
97+ version_tuple = tuple (int (x ) for x in version .split ('.' )[:2 ])
98+ except (ValueError , IndexError ):
99+ version_tuple = (0 , 0 )
100+
101+ if version_tuple < (3 , 0 ):
102+ print ('{0:<15}{1:<15}{2}' .format ('Cantera' , version , location ))
103+ print (' !!! Cantera version must be 3.0 or later.' )
104+ missing = True
105+ else :
106+ print ('{0:<15}{1:<15}{2}' .format ('Cantera' , version , location ))
107+
108+ return missing
109+
71110
72111def _check_openbabel ():
73112 """Check for OpenBabel"""
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