Provide first complete module integration workflow

.gitignore

@@ -0,0 +1,66 @@
+# snakemake data and build directories
+.snakemake/
+data/
+results/
+plots/
+*.png
+*.csv
+notebooks/Dummy*
+notebooks/Deliverable/combined_results
+notebooks/Deliverable/sensitivities
+
+
+# Byte-compiled / optimized / DLL files
+__pycache__/
+*.py[cod]
+*$py.class
+
+# Distribution / packaging
+.Python
+build/
+develop-eggs/
+dist/
+downloads/
+eggs/
+.eggs/
+# lib/
+lib64/
+parts/
+sdist/
+var/
+wheels/
+share/python-wheels/
+*.egg-info/
+.installed.cfg
+*.egg
+MANIFEST
+
+# Sphinx documentation
+docs/_build/
+
+# PyBuilder
+.pybuilder/
+target/
+
+# Jupyter Notebook
+.ipynb_checkpoints
+
+# IPython
+profile_default/
+ipython_config.py
+
+# Environments
+.env
+.venv
+env/
+venv/
+ENV/
+env.bak/
+venv.bak/
+
+# PyCharm
+#  JetBrains specific template is maintained in a separate JetBrains.gitignore that can
+#  be found at https://github.com/github/gitignore/blob/main/Global/JetBrains.gitignore
+#  and can be added to the global gitignore or merged into this file.  For a more nuclear
+#  option (not recommended) you can uncomment the following to ignore the entire idea folder.
+.idea/

.pre-commit-config.yaml

@@ -0,0 +1,18 @@
+exclude: 'docs|node_modules|migrations|.git|.tox'
+default_stages: [pre-commit]
+fail_fast: true
+
+repos:
+-   repo: https://github.com/pre-commit/pre-commit-hooks
+    rev: v4.4.0
+    hooks:
+      - id: trailing-whitespace
+        files: (^|/)a/.+\.(py|html|sh|css|js)$
+
+-   repo: local
+    hooks:
+      - id: black
+        name: black
+        entry: black
+        language: python
+        types: [python]

README.md

@@ -0,0 +1,30 @@
+# Module Integration Workflow
+
+This workflow integrates several data modules to generate a set of Calliope models, run them, and
+post-process the results.
+
+## Getting started
+
+First, create a new conda environment with the required dependencies:
+
+```bash
+conda env create -f environment.yaml
+conda activate module_integration
+```
+
+There are several target rules that you can run to create results. `construct_all_eu` will construct all
+available Europe-level models at resolution NUTS0 and NUTS2. `run_min_cost_eu` runs all the cost-minimising
+models, while `run_max_techs_eu` runs the models that maximise the deployment of a given technology.
+
+Before constructing models, you can also run the target rule for a specific module. Each rule `rules/0_module_*.smk`
+contains a target rule that triggers the output of the module.
+
+Rules in `rules/2_prepare.smk` further process the data to meet the data model of the Calliope models. Intermediate
+results are stored in `results/prepare/`.
+
+Based on the data in `results/prepare/`, the rules in `rules/3_construct.smk` construct the Calliope models. Different models
+can be constructed based on specific templates, defined in `template_components`.
+
+After running the models, the results can be post-processed one-by-one or for several models at once, using
+the `Postprocessor` and `Processor` classes, together with extendable routines that process `calliope.Model` results and
+return a `pandas.DataFrame`.

Snakefile

@@ -0,0 +1,67 @@
+configfile: "config/default.yaml"
+
+PATH_PREPARE = Path("results/prepare/{resolution}")
+PATH_MODELS = "results/models/{resolution}/{template}/{scenario}/"
+
+wildcard_constraints:
+    scenario = "|".join(config["demand_scenario"]),
+    resolution="NUTS0|NUTS2|NUTS3|NUTS3_PRT",
+
+# module rules
+include: "./rules/0_module_area_potentials.smk"
+include: "./rules/0_module_demand_electricity.smk"
+include: "./rules/0_module_pv_wind.smk"
+include: "./rules/0_module_geo_boundaries.smk"
+include: "./rules/0_module_electricity_grid.smk"
+include: "./rules/0_module_demand_heat.smk"
+include: "./rules/0_module_demand_transport.smk"
+include: "./rules/0_module_powerplants.smk"
+
+# rules
+include: "./rules/2_prepare.smk"
+include: "./rules/3_construct.smk"
+include: "./rules/4_run.smk"
+include: "./rules/5_postprocess.smk"
+
+rule dag:
+    message: "Plot dependency graph of the workflow."
+    conda: "envs/dag.yaml"
+    shell:
+        """
+        mkdir -p build
+        snakemake --rulegraph > build/dag.dot
+        dot -Tpdf -o build/dag.pdf build/dag.dot
+        """
+
+rule clean: # removes all generated results
+    message: "Remove all build results but keep downloaded data."
+    run:
+        import shutil
+        shutil.rmtree("results")
+        print("Data downloaded to data/ has not been cleaned.")
+
+rule construct_all_eu:
+    input:
+        expand(
+            "results/models/{resolution}/{method}/{scenario}/construct",
+            resolution=["NUTS0", "NUTS2"],
+            scenario=["base", "res_50", "res_75", "res_90"],
+            method=["min_cost", "max_techs"]
+        )
+
+rule run_min_cost_eu:
+    input:
+        expand(
+            "results/models/{resolution}/min_cost/{scenario}/run/{scenario}/model.nc",
+            resolution=["NUTS0", "NUTS2"],
+            scenario=["base", "res_50", "res_75", "res_90"]
+        ),
+
+rule run_max_techs_eu:
+    input:
+        expand(
+            "results/models/{resolution}/max_techs/{scenario}/run/{scenario}_{slack}/model.nc",
+            resolution=["NUTS0", "NUTS2"],
+            scenario=["base", "res_50", "res_75", "res_90"],
+            slack=["slack_01", "slack_05", "slack_10"],
+        )