DEV: perform valdation with DeepR code

Ref: #11 (comment)

dev/verification/DeepR/README.md

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+for comparability we use the same validation code as the `DeepR` project.
+
+To run the validation, clone https://github.com/ECMWFCode4Earth/DeepR,
+create a conda environment using the environment.yml contained in the repo,
+or a reduced version only holding the packages needed for the validation scripts.
+
+The `tesserugged` output needs to be wrangled to be used as an input to the 
+`DeepR` code using the script `wrangle.sh` within this folder.
+
+Place the config file `configuration_validation_netcdf.yml` into the `resources` 
+directory in the `DeepR` project directory. 
+
+Move to `./deepr/validation/netcdf` and start the validation with 
+`python validation.py`. 
+
+Be aware that you might need to change paths within `wrangle.sh` and 
+`configuration_validation_netcdf.yml`, depending on your setup.

dev/verification/DeepR/configuration_validation_netcdf.yml

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+# Define the anchor for the 'locations' list
+locations_anchor: &locations
+  [
+    { "name": "Ibiza-Baleares", "lat": 38.9067, "lon": 1.4206 },
+    { "name": "Mallorca-Baleares", "lat": 39.6953, "lon": 3.0176 },
+    { "name": "Pyrenees-Spain", "lat": 42.5751, "lon": 1.6536 },
+    { "name": "Madrid-Spain", "lat": 40.4168, "lon": -3.7038 },
+    { "name": "Barcelona-Spain", "lat": 41.3851, "lon": 2.1734 },
+    { "name": "Picos_de_Europa-Spain", "lat": 43.1963, "lon": -4.7461 },
+    { "name": "Alicante-Spain", "lat": 38.3452, "lon": -0.4810 },
+    { "name": "Valencia-Spain", "lat": 39.4699, "lon": -0.3763 },
+    { "name": "Malaga-Spain", "lat": 36.7213, "lon": -4.4213 },
+    { "name": "Almeria-Spain", "lat": 36.8381, "lon": -2.4597 },
+    { "name": "Alboran_Sea-Spain", "lat": 35.9393, "lon": -3.2231 },
+    { "name": "Balearic_Sea-Spain", "lat": 39.8223, "lon": 2.6480 }
+  ]
+
+validation:
+  model_name: "samos"
+  model_predictions_location: /scratch/klifol/kmayer/tmp/code4earth/datasets/model/ #/ssea/SSEA/C4E/DATA/TESTING/SAMOS/postprocessed
+  baseline_name: "bicubic"
+  baseline_predictions_location: /scratch/klifol/kmayer/tmp/code4earth/datasets/baseline/ #/ssea/SSEA/C4E/DATA/TESTING/PREPROCESSED/ERA5_regridded
+  observations_name: "cerra"
+  observations_location: /scratch/klifol/kmayer/tmp/code4earth/datasets/cerra/ #/ssea/SSEA/C4E/DATA/TESTING/PREPROCESSED/CERRA
+  visualization_types:
+    metrics_global_map:
+      show_baseline: True
+      color_palette: None
+    sample_observation_vs_prediction:
+      number_of_samples: 10
+    time_series_for_a_single_site:
+      locations: *locations
+      temporal_subset: None
+      aggregate_by: ["1D", "7D", "15D", "1M"]
+      color_palette: None
+    error_time_series_for_a_single_site:
+      locations: *locations
+      temporal_subset: None
+      aggregate_by: [ "1D", "7D", "15D", "1M" ]
+      color_palette: None
+    error_distribution_for_a_single_site:
+      locations: *locations
+      temporal_subset: None
+      color_palette: None
+    boxplot_for_a_single_site:
+      locations: *locations
+      group_by: ["hour", "month", "season"]
+      color_palette: None
+  validation_dir: /scratch/klifol/kmayer/tmp/code4earth/validation/

dev/verification/DeepR/wrangle.sh

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+#!/usr/bin/env bash
+
+##################################################################
+#Description    : wrange tesserugged output to be used by the 
+#                 DeepR valdation procedure
+#Creation Date  : 2023-09-12
+#Author         : Konrad Mayer
+##################################################################
+
+validation_dir='/scratch/klifol/kmayer/tmp/code4earth'
+projectroot=$(git rev-parse --show-toplevel)
+
+# create folders
+mkdir -R $validation_dir/datasets/{baseline,model,cerra}
+mkdir $validation_dir/validation
+
+# merge output for individual lead times to common dataset
+cdo mergetime $projectroot/dat/TESTING/SAMOS/postprocessed/*.nc $validation_dir/datasets/model/samos.nc
+cdo mergetime $projectroot/dat/TESTING/PREPROCESSED/ERA5_regridded/*.nc $validation_dir/datasets/baseline/era5_regridded.nc
+cdo mergetime $projectroot/dat/TESTING/PREPROCESSED/CERRA/*.nc $validation_dir/datasets/cerra/cerra.nc
+
+# rename variables for prediction datasets
+cdo chname,mu_samos,prediction $validation_dir/datasets/model/samos.nc $validation_dir/datasets/model/tmp.nc; mv $validation_dir/datasets/model/tmp.nc $validation_dir/datasets/model/samos.nc
+cdo chname,t2m,prediction $validation_dir/datasets/baseline/era5_regridded.nc $validation_dir/datasets/baseline/tmp.nc; mv $validation_dir/datasets/baseline/tmp.nc $validation_dir/datasets/baseline/era5_regridded.nc
+
+# removing of the grid_mapping attribute in the samos data and selection of the prediction variable
+ncatted -a grid_mapping,prediction,d,, $validation_dir/datasets/model/samos.nc
+cdo select,name=prediction, $validation_dir/datasets/model/samos.nc $validation_dir/datasets/model/tmp.nc; mv $validation_dir/datasets/model/tmp.nc $validation_dir/datasets/model/samos.nc
+
+# rename dimensions in baseline and model data to match the cerra dimension names
+ncrename -d x,longitude $validation_dir/datasets/baseline/era5_regridded.nc
+ncrename -d y,latitude $validation_dir/datasets/baseline/era5_regridded.nc
+cdo chname,x,longitude,y,latitude $validation_dir/datasets/baseline/era5_regridded.nc $validation_dir/datasets/baseline/tmp.nc; mv $validation_dir/datasets/baseline/tmp.nc $validation_dir/datasets/baseline/era5_regridded.nc
+
+ncrename -d x,longitude $validation_dir/datasets/model/samos.nc
+ncrename -d y,latitude $validation_dir/datasets/model/samos.nc
+cdo chname,x,longitude,y,latitude $validation_dir/datasets/model/samos.nc $validation_dir/datasets/model/tmp.nc; mv $validation_dir/datasets/model/tmp.nc $validation_dir/datasets/model/samos.nc
+
+# the validation script cannot handle na values - there are some present on the edges due to the cdo bilinear interpolation in the baseline as well as samos output. clip all data on the edges
+ncks -d latitude,5,159 -d longitude,2,237 $validation_dir/datasets/model/samos.nc -O $validation_dir/datasets/model/tmp.nc; mv $validation_dir/datasets/model/tmp.nc $validation_dir/datasets/model/samos.nc
+ncks -d latitude,5,159 -d longitude,2,237 $validation_dir/datasets/baseline/era5_regridded.nc -O $validation_dir/datasets/baseline/tmp.nc; mv $validation_dir/datasets/baseline/tmp.nc $validation_dir/datasets/baseline/era5_regridded.nc
+ncks -d latitude,5,159 -d longitude,2,237 $validation_dir/datasets/cerra/cerra.nc -O $validation_dir/datasets/cerra/tmp.nc; mv $validation_dir/datasets/cerra/tmp.nc $validation_dir/datasets/cerra/cerra.nc