adding dev container config

.devcontainer/devcontainer.json

@@ -0,0 +1,9 @@
+// For format details, see https://aka.ms/devcontainer.json. 
+{
+  "name": "pypsa earth dev",
+  "image": "ghcr.io/drifter089/pypsa-earth:latest",
+  "workspaceMount": "source=${localWorkspaceFolder},target=/workspaces,type=bind,consistency=cached",
+  "initializeCommand": "docker pull ghcr.io/drifter089/pypsa-earth:latest",
+  "workspaceFolder": "/workspaces",
+  "postAttachCommand": "bash .devcontainer/setup.sh"
+}

.devcontainer/setup.sh

@@ -0,0 +1,6 @@
+#!/bin/sh
+
+# mv ../pypsa-eur/* ./ 
+# echo 'solved tutorial files are copied to workspace'
+
+cat .devcontainer/welcome-message.txt 

.devcontainer/welcome-message.txt

@@ -0,0 +1,21 @@
+
+
+
+
+👋 Welcome to the PyPSA-Earth Development Environment!
+
+We’re excited to have you here! This setup allows you to contribute to PyPSA-Earth effortlessly using a development container in VS Code.
+
+📖 Getting Started for New Users
+
+	•	For a step-by-step guide on setting up your environment, debugging, and making your first contribution, refer to the PyPSA-Earth README. It covers everything you need to know as a newcomer.
+	•	The configuration files for the development container are located in the .github/.devcontainer folder.
+
+💡 Tips for New Users
+
+	•	Make the most of VS Code by using the Command Palette (Cmd/Ctrl + Shift + P or F1) for quick access to features and commands.
+	•	If you’re new to development containers, learn the basics at containers.dev.
+
+🚀 Start Exploring and Happy Coding!
+
+Don’t hesitate to reach out if you need help—our community is here to support you.

.github/.devcontainer/devcontainer.json

@@ -0,0 +1,33 @@
+// For format details, see https://aka.ms/devcontainer.json. For config options, see the
+// README at: https://github.com/devcontainers/templates/tree/main/src/ubuntu
+{
+  "name": "pypsa earth dev",
+  "build": {
+    "dockerfile": "../../Dockerfile"
+  },
+
+  "features": {
+    "ghcr.io/devcontainers-contrib/features/bash-command:1": {},
+    "ghcr.io/eliises/devcontainer-features/bash-profile:1": {}
+  },
+  "customizations": {
+    "vscode": {
+      "terminal.integrated.profiles.linux": {
+        "bash": {
+          "path": "/bin/bash"
+        }
+      },
+      "extensions": [
+        "ms-python.python",
+        "ms-python.vscode-pylance",
+        "ms-azuretools.vscode-docker",
+        "ms-toolsai.jupyter",
+        "zainchen.json",
+        "tomoki1207.pdf",
+        "grapecity.gc-excelviewer"
+      ]
+    }
+  },
+
+  "postCreateCommand": "python -m pip install --upgrade debugpy"
+}

.github/.devcontainer/test.sh

@@ -0,0 +1,5 @@
+#!/bin/bash
+
+cp config.tutorial.yaml config.yaml
+
+snakemake -j 1 solve_all_networks

.github/workflows/devcontainer.yml

@@ -0,0 +1,63 @@
+name: Dev Container Build and Push Image
+
+on:
+  workflow_dispatch:
+  push:
+    branches:
+      - "main"
+    tags:
+      - "v*.*.*"
+  pull_request:
+    branches: [main]    
+
+
+jobs:
+  build-and-push:
+    strategy:
+      fail-fast: false
+      matrix:
+        os:
+        - [ubuntu-latest]
+        - [ macos-13 ]
+
+    runs-on: ${{ matrix.os }}
+
+    steps:
+    -
+      name: Checkout
+      id: checkout
+      uses: actions/checkout@v1
+
+    - name: Setup docker (missing on MacOS)
+      if: runner.os == 'macos'
+      run: |
+        brew install docker docker-buildx
+        brew install colima
+        colima start
+        while ! docker info >/dev/null 2>&1; do sleep 1; done
+        mkdir -p ~/.docker/cli-plugins
+        ln -sfn $(which docker-buildx) ~/.docker/cli-plugins/docker-buildx
+
+    - name: Login to GitHub Container Registry
+      uses: docker/login-action@v2
+      with:
+        registry: ghcr.io
+        username: ${{ secrets.REGISTRY_USER }}
+        password: ${{ secrets.REGISTRY_TOKEN }}
+    - 
+      name: Build Dev Container Image
+      uses: devcontainers/[email protected]
+      with:
+        subFolder: .github
+        imageName: ghcr.io/${{ github.repository }}
+        cacheFrom: ghcr.io/${{ github.repository }}
+        push: never  
+
+    - name: Test Container Image
+      run: |
+        docker run --rm ghcr.io/${{ github.repository }} /bin/bash -c  "git clone -b devContainers https://github.com/drifter089/pypsa-earth.git && cd pypsa-earth && bash .github/.devcontainer/test.sh"
+
+    - name: Push Container Image
+      if: ${{ success() }}
+      run: |
+        docker push ghcr.io/${{ github.repository }}

.pre-commit-config.yaml

@@ -9,7 +9,7 @@ exclude: ^(LICENSES)
 
 repos:
 - repo: https://github.com/pre-commit/pre-commit-hooks
-  rev: v4.6.0
+  rev: v5.0.0
   hooks:
   - id: check-merge-conflict
   - id: end-of-file-fixer
@@ -49,7 +49,7 @@ repos:
 
 # Formatting with "black" coding style
 - repo: https://github.com/psf/black
-  rev: 24.8.0
+  rev: 24.10.0
   hooks:
   # Format Python files
   - id: black

Dockerfile

@@ -0,0 +1,33 @@
+FROM condaforge/mambaforge
+
+RUN conda update -n base conda
+RUN conda install -n base conda-libmamba-solver
+RUN conda config --set solver libmamba
+
+RUN apt-get update && apt-get install -y bash git
+
+WORKDIR /pypsa-earth
+
+COPY ./envs ./temp
+
+RUN conda env create -n pypsa-earth -f temp/environment.yaml
+
+RUN conda init bash
+
+RUN touch ~/.bashrc && echo "conda activate pypsa-earth" >> ~/.bashrc
+
+SHELL ["/bin/bash", "--login", "-c"]
+
+ENV PATH /opt/conda/envs/pypsa-earth/bin:$PATH
+
+RUN conda install conda-forge::openjdk -y
+
+RUN rm -r temp
+
+RUN conda clean -afy && \
+    rm -rf /tmp/*
+
+ENV LD_PRELOAD=/opt/conda/envs/pypsa-earth/lib/python3.10/site-packages/sklearn/utils/../../../../libgomp.so.1
+
+CMD ["bash"]
+

config.tutorial.yaml

@@ -6,9 +6,10 @@ version: 0.4.1
 tutorial: true
 
 
-countries: ["NG", "BJ"]
+countries: ["NG"]
 
 enable:
+  retrieve_databundle: true
   build_natura_raster: true
   progress_bar: false
 

doc/docker_containers.rst

@@ -0,0 +1,48 @@
+
+.. _docker_containers:
+
+Alternate Installation with Docker
+===============================================
+
+This is an alternative way to create a development environment for PyPSA-Earth. This method is useful for users who are not familiar with programming or Python, or who do not want to install Python on their local machine. It uses Docker containers to create a development environment for PyPSA-Earth.
+
+This section provides a step-by-step guide on how to set up and use Docker containers to run PyPSA-Earth.
+
+Steps:
+
+1. Install Docker: Follow the instructions for your operating system:
+
+* `Windows <https://docs.docker.com/desktop/install/windows-install/>`_
+* `Linux <https://docs.docker.com/desktop/install/linux/>`_
+* `MacOS <https://docs.docker.com/desktop/install/mac-install/>`_
+
+    Ensure Docker is installed on your system.
+
+2. Install GitHub Desktop for your OS `here <https://desktop.github.com/download/>`_.
+
+3. Clone the repository:
+    * Open GitHub Desktop.
+    * Click on "File" in the top left corner.
+    * Click on "Clone Repository".
+    * Paste the following URL in the URL field:
+
+    .. code:: bash
+
+        https://github.com/drifter089/pypsa-earth.git
+
+    * Click on "Clone".
+    * Choose the location where you want to save the repository.
+    * Click on "Current Branch: main" and select `devContainers`.
+    * Click on "Open in Visual Studio Code".
+
+    The repository will be cloned to your local machine.
+
+4. Rebuild and open in a container:
+    * Open the repository in VSCode.
+    * Click on the green icon in the bottom left corner of the VSCode window.
+    * Click on "Reopen in Container".
+    * Wait for the container to build and open the repository in the container.
+
+    The environment will be ready for use. You can now run PyPSA-Earth in the container.
+
+

doc/index.rst

@@ -128,6 +128,7 @@ Documentation
 
 * :doc:`introduction`
 * :doc:`installation`
+* :doc:`docker_containers`
 * :doc:`short_tutorial`
 * :doc:`tutorial`
 * :doc:`data_workflow`
@@ -140,6 +141,7 @@ Documentation
 
    introduction
    installation
+   docker_containers
    short_tutorial
    tutorial
    data_workflow

doc/release_notes.rst

@@ -26,6 +26,10 @@ E.g. if a new rule becomes available describe how to use it `make test` and in o
 
 * Include a dedicated cutout for Europe in bundle_config.yaml `PR #1125 <https://github.com/pypsa-meets-earth/pypsa-earth/pull/1125>`_
 
+* Fix the mismatch between buses and x, y locations while creating H2 Stores `PR #1134 <https://github.com/pypsa-meets-earth/pypsa-earth/pull/1134>`_
+
+* Enable configfile specification for mock_snakemake `PR #1135 <https://github.com/pypsa-meets-earth/pypsa-earth/pull/1135>`_
+
 PyPSA-Earth 0.4.1
 =================
 

envs/environment.yaml

@@ -56,7 +56,7 @@ dependencies:
   # GIS dependencies:
 - cartopy
 - descartes
-- rasterio!=1.2.10
+- rasterio!=1.2.10, <=1.3.11
 - rioxarray
 
  # Plotting

scripts/_helpers.py

@@ -522,7 +522,9 @@ def get_aggregation_strategies(aggregation_strategies):
     return bus_strategies, generator_strategies
 
 
-def mock_snakemake(rulename, root_dir=None, submodule_dir=None, **wildcards):
+def mock_snakemake(
+    rulename, root_dir=None, submodule_dir=None, configfile=None, **wildcards
+):
     """
     This function is expected to be executed from the "scripts"-directory of "
     the snakemake project. It returns a snakemake.script.Snakemake object,
@@ -534,6 +536,8 @@ def mock_snakemake(rulename, root_dir=None, submodule_dir=None, **wildcards):
     ----------
     rulename: str
         name of the rule for which the snakemake object should be generated
+    configfile: str
+        path to config file to be used in mock_snakemake
     wildcards:
         keyword arguments fixing the wildcards. Only necessary if wildcards are
         needed.
@@ -566,9 +570,17 @@ def mock_snakemake(rulename, root_dir=None, submodule_dir=None, **wildcards):
             if os.path.exists(p):
                 snakefile = p
                 break
+
+        if isinstance(configfile, str):
+            with open(configfile, "r") as file:
+                configfile = yaml.safe_load(file)
+
         workflow = sm.Workflow(
-            snakefile, overwrite_configfiles=[], rerun_triggers=[]
-        )  # overwrite_config=config
+            snakefile,
+            overwrite_configfiles=[],
+            rerun_triggers=[],
+            overwrite_config=configfile,
+        )
         workflow.include(snakefile)
         workflow.global_resources = {}
         try:

scripts/add_extra_components.py

@@ -104,7 +104,7 @@ def attach_stores(n, costs, config):
 
     _add_missing_carriers_from_costs(n, costs, carriers)
 
-    buses_i = n.buses.query("carrier == 'AC'").index
+    buses_i = n.buses.index
     bus_sub_dict = {k: n.buses[k].values for k in ["x", "y", "country"]}
 
     if "H2" in carriers: