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Update GEOS Chem matching step to reflect xarray updates #1

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No major changes were required. Most of the differences are just reformatting from python's "black" formatter. I changed three lines of code between the two python files -- all related to how xarray is passed multiple files or a glob. There have been some minor updates in xarray the way things were written no longer works. I also updated the link to the paper and added a conda environment file.

I was able to run the matching step using WOMBAT_MAX_WORKERS=8 make -j2 2_matching_targets for a subset of 5 runs. Here's the output:

python3 2_matching/src/subset-geos-chem.py
--meteorology-run 1_transport/intermediates/GEOS_Chem/runs/run.v12.3.2.base
--oco2-observations data/OCO2_b70b_10sec_WL15_GOOD_v10.nc
--tccon-observation-directory data/TCCON/20170706
--runs-directory 1_transport/intermediates/GEOS_Chem/runs
--output-directory 2_matching/intermediates/GEOS_Chem/matched-runs
python3 2_matching/src/aggregate-flux-geos-chem.py
--runs-directory 1_transport/intermediates/GEOS_Chem/runs
--output-directory 2_matching/intermediates/GEOS_Chem/matched-runs
[INFO] [2022-05-12 14:37:22,570] [run.v12.3.2.base] Creating output path
[INFO] [2022-05-12 14:37:22,574] [run.v12.3.2.base] Loading 87 files
[INFO] [2022-05-12 14:37:23,492] [run.v12.3.2.base] Computing monthly fluxes
warning: refname 'HEAD' is ambiguous.
[INFO] [2022-05-12 14:37:24,845] [run.v12.3.2.base] Saving results
[INFO] [2022-05-12 14:37:38,350] Running with 8 workers
[INFO] [2022-05-12 14:37:38,361] [run.v12.3.2.base] Creating output path
warning: refname 'HEAD' is ambiguous.
[INFO] [2022-05-12 14:37:38,380] [run.v12.3.2.base] Subsetting for hourly OCO-2
[INFO] [2022-05-12 14:41:05,788] [run.v12.3.2.base] Done
touch 2_matching/intermediates/GEOS_Chem/matched-runs/LAST_FLUX_AGGREGATED
[INFO] [2022-05-12 14:48:24,372] [run.v12.3.2.base] Subsetting for daily OCO-2
[INFO] [2022-05-12 14:48:42,715] [run.v12.3.2.base] Subsetting for hourly TCCON
[INFO] [2022-05-12 14:57:16,664] [run.v12.3.2.base] Subsetting for daily TCCON
[INFO] [2022-05-12 14:57:23,376] [run.v12.3.2.base] Subsetting for ObsPack
touch 2_matching/intermediates/GEOS_Chem/matched-runs/LAST_SUBSETTED
Rscript 2_matching/src/compute-xco2-geos-chem.R
--oco2-observations data/OCO2_b70b_10sec_WL15_GOOD_v10.nc
--tccon-observation-directory data/TCCON/20170706
--matched-runs-directory 2_matching/intermediates/GEOS_Chem/matched-runs
Warning message:
replacing previous import ‘Matrix::update’ by ‘stats::update’ when loading ‘wombat’
INFO [2022-05-12 14:58:31] Loading OCO-2 observations
INFO [2022-05-12 14:58:33] Loading TCCON observations
INFO [2022-05-12 14:58:48] Processing 1 runs
INFO [2022-05-12 14:58:48] Processing run.v12.3.2.base
warning: refname 'HEAD' is ambiguous.
warning: refname 'HEAD' is ambiguous.
warning: refname 'HEAD' is ambiguous.
warning: refname 'HEAD' is ambiguous.
INFO [2022-05-12 14:59:24] Done
touch 2_matching/intermediates/GEOS_Chem/matched-runs/LAST_COMPUTED_XCO2
Rscript 2_matching/src/combine-geos-chem.R
--matched-runs-directory 2_matching/intermediates/GEOS_Chem/matched-runs
Warning message:
replacing previous import ‘Matrix::update’ by ‘stats::update’ when loading ‘wombat’
INFO [2022-05-12 14:59:27] Processing 1 runs
INFO [2022-05-12 14:59:27] Processing run.v12.3.2.base
warning: refname 'HEAD' is ambiguous.
INFO [2022-05-12 15:00:27] Done
touch 2_matching/intermediates/GEOS_Chem/matched-runs/LAST_COMBINED

I also see the following files have been created in 2_matching/intermediates
Screen Shot 2022-05-12 at 09 12 01

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