AtChem2
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AtChem
Atmospheric chemistry box-model for the MCM
Revision of the AtChem2 Manual. Add a github actions workflow to compile and upload automatically the Manual PDF file.
This PR is just to investigate the failure of the model tests on macOS **Do not merge**
I noticed these warnings on the testsuite logs for macos only (both version 11 and 12). Likely not very serious, but to be checked. Not sure if this can be...
Doesn't appear to be serious. Compilation ends with the following warning message: ``` gfortran-11 -o atchem2 -Jobj -Iobj src/dataStructures.f90 src/argparse.f90 src/interpolationFunctions.f90 src/configFunctions.f90 src/inputFunctions.f90 src/outputFunctions.f90 src/atmosphereFunctions.f90 src/solarFunctions.f90 src/constraintFunctions.f90 src/solverFunctions.f90 src/parameterModules.f90 src/atchem2.f90...
I can't see that we check that the user hasn't defined the same species as both variably-constrained and constant. This case needs sensible handling. https://github.com/AtChem/AtChem2/issues/272#issuecomment-398749169 shows how we handle the...
It would be good to check for duplicate reactions in the chemical mechanism. It's an easy mistake to make when assembling the `fac` file and I don't think we currently...
The mechanism conversion script (`mech_converter.py`) needs to be refactored. At the moment it consists of a giant `convert_to_fortran()` function, which does a lot of things in a sequence to convert...
Probably need to switch completely to Python3 at some point , instead of relying on `__future__`. Python2 is being phased out in 2020 (https://www.python.org/doc/sunset-python-2/). It also does not make sense...
Using https://github.com/fortran-lang/setup-fortran might mean we can slim down our own hand-crafted Fortran compiler install code. I've not looked over it at all to check it would work, but looks good....
More a warning/placeholder for the future than an issue per se. `ifort` is being dperecated and replaced by `ifx`. Discontinuation is late 2024, so from that point on there will...