ck2yaml in v3 can't convert the same files as v2 #1845
Description
Problem description
ck2yaml in Cantera 2.6.0 is able to convert my chemkin files, but 3.1.0 cannot
Steps to reproduce
The chem-gas.inp and chem-surface.inp files are attached to this issue:
I made two conda environments with cantera 2.6.0 (conda create --name cantera2 "python==3.9.*" "conda-forge::cantera<3") and 3.1.0 (conda create --name cantera3 "python==3.9.*" "conda-forge::cantera>2") and then run the following commands:
conda run --name cantera2 ck2yaml --input chem-gas.inp --surface chem-surface.inpconda run --name cantera3 ck2yaml --input chem-gas.inp --surface chem-surface.inp
Behavior
v2 works:
$ conda run --name cantera2 ck2yaml --input chem-gas.inp --surface chem-surface.inp
Wrote YAML mechanism file to 'chem-gas.yaml'.
Mechanism contains 6 species and 4 reactions.
Validating mechanism...
PASSEDbut v3 says this:
conda run --name cantera3 ck2yaml --input chem-gas.inp --surface chem-surface.inp
*******************************************************************************
Error while reading SITE section in chem-surface.inp starting on line 9:
"""
SITE SDEN/2.4830E-09/ ! mol/cm^2
"""
SITE section defined with no site density
*******************************************************************************
Unable to convert mechanism due to errors. Please check
https://cantera.org/stable/userguide/ck2yaml-tutorial.html#debugging-common-errors-in-ck-files
for the correct Chemkin syntax.
ERROR conda.cli.main_run:execute(125): `conda run ck2yaml --input chem-gas.inp --surface chem-surface.inp` failed. (See above for error)System information
- Cantera version: 2.6.0 and 3.1.0
- OS: Ubuntu 22.04
- Python/MATLAB/other software versions: python 3.9.21 in both cases
Attachments
Included in line above.
Additional context
I'm a developer of RMG and this came up when attempting to upgrade from Cantera 2 to 3 in this PR: ReactionMechanismGenerator/RMG-Py#2751