Merge pull request #53 from dlr-pa/dev

Release of version 0.9.0

.github/workflows/github-actions-demo.yml

@@ -0,0 +1,24 @@
+name: GitHub Actions Demo
+run-name: ${{ github.actor }} is testing out GitHub Actions 🚀
+on: [push]
+jobs:
+  Explore-GitHub-Actions:
+    runs-on: ${{ matrix.os }}
+    strategy:
+      matrix:
+        os: ["ubuntu-latest"]
+        python-version: ["3.11.5"]
+    steps:
+    - name: Setup conda environment
+      uses: conda-incubator/setup-miniconda@v3
+      with:
+        auto-update-conda: false
+        python-version: ${{ matrix.python-version }}
+        miniforge-version: latest
+    - name: Conda info
+      run: |
+        conda info
+        conda list
+    - name: Set sys.path
+      run: |
+        python -c "import sys, os; sys.path.append(os.getcwd()); print(sys.path)"

.github/workflows/install_and_test.yml

@@ -0,0 +1,50 @@
+# This workflow will setup conda, create a virtual environment with required packages and dependencies,
+# execute script utils/create_test_files.py,
+# and run tests with pytest
+
+name: Install and run tests
+
+on:
+  push:
+    branches: [ "main", "dev" ]
+  pull_request:
+    branches: [ "main", "dev" ]
+
+#permissions:
+#  contents: read
+
+jobs:
+  build:
+    name: Install and test on (${{ matrix.os }}, Miniforge)
+    runs-on: ${{ matrix.os }}
+    strategy:
+      matrix:
+        os: ["ubuntu-latest"]
+        python-version: ["3.11.5"]
+    defaults:
+      run:
+        shell: bash -el {0}
+    steps:
+    - uses: actions/checkout@v4
+    - name: Setup conda environment
+      uses: conda-incubator/setup-miniconda@v3
+      with:
+        auto-update-conda: false
+        python-version: ${{ matrix.python-version }}
+        environment-file: environment_dev.yaml
+        activate-environment: oac
+        miniforge-version: latest
+    - name: Conda info
+      run: |
+        conda info
+        conda list
+    - name: Create test files
+      run: |
+        cd utils/
+        chmod a+x create_test_files.py
+        python create_test_files.py
+        cd ..
+    - name: Test with pytest
+      run: |
+        cd tests/
+        pytest

.gitignore

@@ -19,11 +19,8 @@ __pycache__/
 # ignore Jupyter Notebooks
 /ipynb/
 
-# ignore REPOSITORIES
-example/repository/*.nc
-# exceptions
-!example/repository/co2_bg.nc
-!example/repository/resp_RF.nc
+# ignore repositories and input data
+example/input/*.nc
 tests/repository/*.*
 tests/repository/cache
 # exceptions

CHANGELOG.md

@@ -1,5 +1,25 @@
 # Changelog
 
+## [0.9.0] - 2024-12-04
+
+### Added
+
+- Species: $O_3$, $CH_4$, PMO and Contrails
+
+### Limitations
+
+- Limited resolution of response surfaces and pending validation for species $O_3$, $CH_4$ and PMO
+- Stratospheric Water Vapor (SWV) not considered in this version
+- Contrails module: AirClim 2.1 methodology including simulations for $H_2$ from AHEAD project
+- Climate impact of longer species lifetimes in the stratosphere not considered
+- Overhanging effect on next year not considered for species lifetimes in the order of time step (year)
+
+### Updates
+
+- Change of versioning scheme to [semantic versioning](https://semver.org/)
+- Move repository directory
+- Integrate default configuration settings
+
 ## [2.8.3] - 2024-09-04
 
 ### Added

README.md

@@ -1,6 +1,8 @@
 # OpenAirClim
 
 [![DOI](https://zenodo.org/badge/851165490.svg)](https://zenodo.org/doi/10.5281/zenodo.13682728)
+![Install and Test workflow](https://github.com/dlr-pa/oac/actions/workflows/install_and_test.yml/badge.svg)
+
 
 ## Description
 
@@ -153,7 +155,9 @@ Major planned software releases and milestones for the project planning are:
 ## References
 - Grewe, V., & Stenke, A. (2008). AirClim: an efficient tool for climate evaluation of aircraft technology. Atmospheric Chemistry and Physics, 8(16), 4621-4639.
 - Dahlmann, K. (2011). A method for the efficient evaluation of climate optimisation measures for air transport [Eine Methode zur effizienten Bewertung von Maßnahmen zur Klimaoptimierung des Luftverkehrs] (Doctoral dissertation, Ph. D. Thesis, Ludwig-Maximilians-Universität München, Munich).
+- Hüttenhofer, L. (2013). Parametrisierung von Kondensstreifenzirren für AirClim 2.0 (Bachelor Thesis, Ludwig-Maximilians-Universität München, Munich). 
 - Dahlmann, K., Grewe, V., Frömming, C., & Burkhardt, U. (2016). Can we reliably assess climate mitigation options for air traffic scenarios despite large uncertainties in atmospheric processes?. Transportation Research Part D: Transport and Environment, 46, 40-55.
+- Grewe, V., Bock, L., Burkhardt, U., et al. (2017). Assessing the climate impact of the AHEAD multi-fuel blended wing body. Meteorologische Zeitschrift, 26(6), 711-725.
 - Leipold, A. et al. (2021) DEPA 2050 – Development Pathways for Aviation up to 2050 (Final Report). https://elib.dlr.de/142185/
 
 

docs/source/openairclim.rst

@@ -4,6 +4,14 @@ openairclim package
 Submodules
 ----------
 
+openairclim.calc\_ch4 module
+----------------------------
+
+.. automodule:: openairclim.calc_ch4
+   :members:
+   :undoc-members:
+   :show-inheritance:
+
 openairclim.calc\_co2 module
 ----------------------------
 
@@ -12,6 +20,14 @@ openairclim.calc\_co2 module
    :undoc-members:
    :show-inheritance:
 
+openairclim.calc\_cont module
+----------------------------
+
+.. automodule:: openairclim.calc_cont
+   :members:
+   :undoc-members:
+   :show-inheritance:
+
 openairclim.calc\_dt module
 ---------------------------
 

environment_dev.yaml

@@ -35,4 +35,5 @@ dependencies:
   - isort
   - scipy
   - ipympl
-  - openpyxl
+  - openpyxl
+  - deepmerge

environment_minimal.yaml

@@ -12,4 +12,5 @@ dependencies:
   - xarray
   - netcdf4
   - scipy
+  - deepmerge
 

example/example.toml

@@ -3,18 +3,18 @@
 # Species considered
 [species]
 # Species defined in emission inventories
-# possible values: "CO2", "H2O", "NOx"
-inv = ["CO2", "H2O", "NOx"]
+# possible values: "CO2", "H2O", "NOx", "distance"
+inv = ["CO2", "H2O", "NOx", "distance"]
 # Assumed NOx species in emission inventory
 # possible values: "NO", "NO2"
 nox = "NO"
 # Output / response species
-# possible values: "CO2", "H2O"
-out = ["CO2", "H2O"]
+# possible values: "CO2", "H2O", "O3", "CH4", "PMO", "cont"
+out = ["CO2", "H2O", "O3", "CH4", "PMO", "cont"]
 
 # Emission inventories                                                    
 [inventories]
-dir = "repository/"
+dir = "input/"
 files = [
     "rnd_inv_2020.nc",
     "rnd_inv_2030.nc",
@@ -28,6 +28,15 @@ files = [
     #    "rnd_inv_2110.nc",
     #    "rnd_inv_2120.nc",
 ]
+# base emission inventories, only considered if rel_to_base = true
+rel_to_base = false
+base.dir = "input/"
+base.files = [
+    "rnd_inv_2020.nc",
+    "rnd_inv_2030.nc",
+    "rnd_inv_2040.nc",
+    "rnd_inv_2050.nc",
+]
 
 # Output options
 [output]
@@ -42,32 +51,51 @@ concentrations = false
 
 # Time settings
 [time]
-dir = "repository/"
+dir = "../repository/"
 # Time range in years: t_start, t_end, step, (t_end not included)
 range = [2020, 2051, 1]
 # Time evolution of emissions
 # either type "scaling" or type "norm"
 #file = "time_scaling_example.nc"
 #file = "time_norm_example.nc"
 
-# Background concentrations
+# Global background concentrations
 [background]
-CO2.file = "repository/co2_bg.nc"
+dir = "../repository/"
+CO2.file = "co2_bg.nc"
 CO2.scenario = "SSP2-4.5"
 #CO2.scenario = "SSP1-1.9"
 #CO2.scenario = "SSP4-6.0"
 #CO2.scenario = "SSP3-7.0"
+CH4.file = "ch4_bg.nc"
+CH4.scenario = "SSP2-4.5"
+N2O.file = "n2o_bg.nc"
+N2O.scenario = "SSP2-4.5"
 
 # Response options
 [responses]
+dir = "../repository/"
 CO2.response_grid = "0D"
 CO2.conc.method = "Sausen&Schumann"
-CO2.rf.method = "IPCC_2001_1"       # IPCC 2001, Table 6.2 first row
-#CO2.rf.method = "IPCC_2001_2"      # IPCC 2001, Table 6.2 second row
-#CO2.rf.method = "IPCC_2001_3"      # IPCC 2001, Table 6.2 third row
+# RF method based on Etminan et al. 2016 is used by default.
+#CO2.rf.method = "Etminan_2016"
 
 H2O.response_grid = "2D"
-H2O.rf.file = "repository/resp_RF.nc"
+H2O.rf.file = "resp_RF.nc"    # AirClim response surface
+
+O3.response_grid = "2D"
+O3.rf.file = "resp_RF_O3.nc"  # tagging
+#O3.rf.file = "resp_RF.nc"    # AirClim response surface, requires adjustment of CORR_RF_O3 !
+
+CH4.response_grid = "2D"
+CH4.tau.file = "resp_ch4.nc"  # tagging
+CH4.rf.method = "Etminan_2016"
+
+cont.response_grid = "cont"
+cont.resp.file = "resp_cont.nc"
+cont.G_comp = 0.04  # conventional: 0.04; hydrogen: 0.12 
+cont.eff_fac = 1.0  # efficiency factor compared to kerosene (1.0)
+cont.PMrel = 1.0  # relative PM emissions compared to kerosene (1.0)
 
 # Temperature options
 [temperature]
@@ -79,11 +107,17 @@ CO2.lambda = 0.73
 # Efficacies, Ponater et al. 2006, Table 1
 H2O.efficacy = 1.14
 O3.efficacy = 1.37
+PMO.efficacy = 1.37
 CH4.efficacy = 1.14
+cont.efficacy = 0.59
 
 # Climate metrics options
 [metrics]
 # iterate over elements in lists types t_0 and H
 types = ["AGWP", "ATR", "AGTP"] # valid climate metrics: AGTP, AGWP, ATR
 H = [31]                        # Time horizon, t_final = t_0 + H - 1
 t_0 = [2020]                    # Start time for metrics calculation
+
+# aircraft defined in inventory
+[aircraft]
+types = ["KER", "SAF", "LH2"]

example/run.py

@@ -1,5 +1,10 @@
 """Demonstration of OpenAirClim simulation run"""
 
+# if you have not added the oac folder to your PATH, then you also need to
+# import sys and append to PATH using sys.path.append(`.../oac`)
+import os
 import openairclim as oac
 
+# change directory to match current file
+os.chdir(os.path.dirname(os.path.abspath(__file__)))
 oac.run("example.toml")

openairclim/__about__.py

@@ -12,7 +12,7 @@
 
 
 __title__ = "OpenAirClim"
-__version__ = "2.8.3"
+__version__ = "0.9.0"
 __author__ = "OpenAirClim Team"
 __email__ = "[email protected]"
 __license__ = "Apache 2.0"

openairclim/__init__.py

@@ -13,6 +13,8 @@
 from openairclim.interpolate_time import *  # noqa: F401, F403
 from openairclim.calc_response import *  # noqa: F401, F403
 from openairclim.calc_co2 import *  # noqa: F401, F403
+from openairclim.calc_ch4 import *  # noqa: F401, F403
+from openairclim.calc_cont import *  # noqa: F401, F403
 from openairclim.calc_dt import *  # noqa: F401, F403
 from openairclim.calc_metric import *  # noqa: F401, F403
 from openairclim.uncertainties import *  # noqa: F401, F403