diff --git a/.github/ISSUE_TEMPLATE/1-bug-community.yaml b/.github/ISSUE_TEMPLATE/1-bug-community.yaml index 0bef035992..b0e77c1741 100644 --- a/.github/ISSUE_TEMPLATE/1-bug-community.yaml +++ b/.github/ISSUE_TEMPLATE/1-bug-community.yaml @@ -11,6 +11,8 @@ body: Please do not post usage questions here. Ask them on the [PyPSA/Open-TYNDP Discord channel](https://discord.com/channels/911692131440148490/1414977512089321564) or contact tyndp@openenergytransition.org. + Please write this issue description yourself. Any potentially verbose AI-generated content should be marked. + - type: checkboxes id: version_checks attributes: diff --git a/.github/ISSUE_TEMPLATE/2-feature-community.yaml b/.github/ISSUE_TEMPLATE/2-feature-community.yaml index ba8d83490f..3a01fa746d 100644 --- a/.github/ISSUE_TEMPLATE/2-feature-community.yaml +++ b/.github/ISSUE_TEMPLATE/2-feature-community.yaml @@ -11,6 +11,8 @@ body: Please do not post usage questions here. Ask them on the [PyPSA/Open-TYNDP Discord channel](https://discord.com/channels/911692131440148490/1414977512089321564) or contact tyndp@openenergytransition.org. + Please write this issue description yourself. Any potentially verbose AI-generated content should be marked. + - type: checkboxes id: affected_component attributes: diff --git a/.github/ISSUE_TEMPLATE/3-bug-maintainer.yaml b/.github/ISSUE_TEMPLATE/3-bug-maintainer.yaml index 7643704803..1cd20a8d1b 100644 --- a/.github/ISSUE_TEMPLATE/3-bug-maintainer.yaml +++ b/.github/ISSUE_TEMPLATE/3-bug-maintainer.yaml @@ -11,6 +11,8 @@ body: Please do not post usage questions here. Ask them on the [PyPSA/Open-TYNDP Discord channel](https://discord.com/channels/911692131440148490/1414977512089321564) or contact tyndp@openenergytransition.org. + Please write this issue description yourself. Any potentially verbose AI-generated content should be marked. + - type: checkboxes id: version_checks attributes: diff --git a/.github/ISSUE_TEMPLATE/4-feature-maintainer-parent.yaml b/.github/ISSUE_TEMPLATE/4-feature-maintainer-parent.yaml index 0480bf5462..fc1a15982a 100644 --- a/.github/ISSUE_TEMPLATE/4-feature-maintainer-parent.yaml +++ b/.github/ISSUE_TEMPLATE/4-feature-maintainer-parent.yaml @@ -12,6 +12,8 @@ body: This template is for high-level parent issues that will be broken down into sub-issues. Use the ["Feature - Sub Issue (Maintainer)"](https://github.com/open-energy-transition/open-tyndp/issues/new?template=5-feature-maintainer-sub.yaml) template for detailed feature requests. Security and risk assessment is captured at this sub-issue level. + Please write this issue description yourself. Any potentially verbose AI-generated content should be marked. + - type: checkboxes id: affected_component attributes: diff --git a/.github/ISSUE_TEMPLATE/5-feature-maintainer-sub.yaml b/.github/ISSUE_TEMPLATE/5-feature-maintainer-sub.yaml index 1de1b724b8..d767bc19d1 100644 --- a/.github/ISSUE_TEMPLATE/5-feature-maintainer-sub.yaml +++ b/.github/ISSUE_TEMPLATE/5-feature-maintainer-sub.yaml @@ -12,6 +12,8 @@ body: This template is for detailed feature requests. Use the ["Feature - Parent Issue (Maintainer)"](https://github.com/open-energy-transition/open-tyndp/issues/new?template=4-feature-maintainer-parent.yaml) template for high-level parent issues that will be broken down into sub-issues. + Please write this issue description yourself. Any potentially verbose AI-generated content should be marked. + - type: input id: parent_issue attributes: diff --git a/.github/ISSUE_TEMPLATE/6-spike-maintainer.yaml b/.github/ISSUE_TEMPLATE/6-spike-maintainer.yaml index 01b32cd1ae..2339b93148 100644 --- a/.github/ISSUE_TEMPLATE/6-spike-maintainer.yaml +++ b/.github/ISSUE_TEMPLATE/6-spike-maintainer.yaml @@ -12,6 +12,8 @@ body: Spikes are exploratory issues meant to gather information and explore concepts. They typically don't result in PRs but help inform future implementation decisions. + Please write this issue description yourself. Any potentially verbose AI-generated content should be marked. + - type: input id: parent_issue attributes: diff --git a/.github/pull_request_template.md b/.github/pull_request_template.md index 77bcd5c305..9bc2250702 100644 --- a/.github/pull_request_template.md +++ b/.github/pull_request_template.md @@ -22,6 +22,7 @@ Closes # (if applicable). - [ ] Changes are tested locally and behave as expected. - [ ] Code and workflow changes are documented. - [ ] A release note entry is added to `doc/release_notes.md`. +- [ ] The description is human-written and any AI-generated content is marked. **If applicable:** - [ ] Changes in configuration options are reflected in `scripts/lib/validation`. diff --git a/.github/workflows/security-scan.yaml b/.github/workflows/security-scan.yaml index 910eb8eb7e..7faa8f2e42 100644 --- a/.github/workflows/security-scan.yaml +++ b/.github/workflows/security-scan.yaml @@ -22,8 +22,8 @@ jobs: run: shell: bash -l {0} steps: - - uses: actions/checkout@v6 - - uses: prefix-dev/setup-pixi@v0.9.6 + - uses: actions/checkout@v7 + - uses: prefix-dev/setup-pixi@v0.10.0 with: pixi-version: v0.68.1 @@ -45,12 +45,15 @@ jobs: add-cpes-if-none: true output-format: sarif - # Point alerts to pixi.lock so githubs path scoped PR check registers it - - name: Rewrite SARIF locations to pixi.lock + # Set uri=pixi.lock for a readable location, and fingerprint each alert by + # CVE id so code scanning matches against the master baseline by CVE, not line. + - name: Normalize SARIF (pixi.lock location + CVE fingerprint) run: | - jq '.runs[].results[].locations[].physicalLocation.artifactLocation.uri = "pixi.lock"' \ - "${{ steps.scan.outputs.sarif }}" > rewritten.sarif - mv rewritten.sarif "${{ steps.scan.outputs.sarif }}" + jq '.runs[].results[] |= ( + .locations[].physicalLocation.artifactLocation.uri = "pixi.lock" + | .partialFingerprints = {"grypeCve/v1": .ruleId} + )' "${{ steps.scan.outputs.sarif }}" > normalized.sarif + mv normalized.sarif "${{ steps.scan.outputs.sarif }}" - name: Upload SARIF if: github.event_name != 'pull_request' || github.event.pull_request.head.repo.full_name == github.repository diff --git a/Snakefile b/Snakefile index 3d78a2373a..757f2609a7 100644 --- a/Snakefile +++ b/Snakefile @@ -60,6 +60,8 @@ for scenario_name, scenario_overrides in scenarios.items(): ) from e RDIR = get_rdir(run) +PROJ_DIR = Path(workflow.snakefile).parent + shadow_config = get_shadow(run) shared_resources = run["shared_resources"]["policy"] @@ -67,9 +69,10 @@ exclude_from_shared = run["shared_resources"]["exclude"] logs = path_provider("logs/", RDIR, shared_resources, exclude_from_shared) benchmarks = path_provider("benchmarks/", RDIR, shared_resources, exclude_from_shared) resources = path_provider("resources/", RDIR, shared_resources, exclude_from_shared) -scripts = script_path_provider(Path(workflow.snakefile).parent) +scripts = script_path_provider(PROJ_DIR) RESULTS = "results/" + RDIR +workflow.default_target = config["run"]["default_target_rule"] localrules: @@ -207,7 +210,6 @@ def input_all_tyndp(w): rule all: - default_target: True input: input_all_tyndp, expand(RESULTS + "graphs/costs.pdf", run=config["run"]["name"]), @@ -396,6 +398,8 @@ rule rulegraph: pdf=resources("dag_rulegraph.pdf"), png=resources("dag_rulegraph.png"), svg=resources("dag_rulegraph.svg"), + params: + default_target=workflow.default_target, # track default target to ensure rule is re-triggered message: "Creating RULEGRAPH dag in multiple formats using the final configuration." shell: @@ -433,6 +437,8 @@ rule filegraph: pdf=resources("dag_filegraph.pdf"), png=resources("dag_filegraph.png"), svg=resources("dag_filegraph.svg"), + params: + default_target=workflow.default_target, # track default target to ensure rule is re-triggered message: "Creating FILEGRAPH dag in multiple formats using the final configuration." shell: diff --git a/config/config.default.yaml b/config/config.default.yaml index b616b54f8c..e4cb733ef0 100644 --- a/config/config.default.yaml +++ b/config/config.default.yaml @@ -33,6 +33,7 @@ run: policy: false exclude: [] use_shadow_directory: false + default_target_rule: all # docs in https://open-tyndp.readthedocs.io/en/latest/configuration.html#foresight foresight: overnight @@ -1311,6 +1312,13 @@ solving: primal_feasibility_tolerance: 1.0e-05 dual_feasibility_tolerance: 1.0e-05 random_seed: 123 + "highs-hipo": + solver: hipo + parallel: 'on' + primal_feasibility_tolerance: 1.0e-05 + dual_feasibility_tolerance: 1.0e-05 + random_seed: 123 + run_crossover: 'off' "gurobi-default": threads: 32 method: 2 @@ -1394,6 +1402,8 @@ solving: # docs in https://open-tyndp.readthedocs.io/en/latest/configuration.html#data data: + version_files: + - data/versions.csv hotmaps_industrial_sites: source: archive version: latest diff --git a/config/plotting.default.yaml b/config/plotting.default.yaml index f7e1bfa42a..400a0de956 100644 --- a/config/plotting.default.yaml +++ b/config/plotting.default.yaml @@ -686,6 +686,7 @@ plotting: heat demand: '#cc1f1f' rural heat: '#ff5c5c' rural heat dsm: '#ff5c5c' + heat dsm: '#ff5c5c' residential rural heat: '#ff7c7c' services rural heat: '#ff9c9c' central heat: '#cc1f1f' diff --git a/config/schema.default.json b/config/schema.default.json index fd78387fa1..f42b05a74d 100644 --- a/config/schema.default.json +++ b/config/schema.default.json @@ -1068,6 +1068,14 @@ "DataConfig": { "description": "Configuration for `data` settings.", "properties": { + "version_files": { + "description": "\n List of paths to version files.\n If multiple paths are provided, they will be merged with priority given to the later paths in the list.\n This allows for overriding default versions with custom versions, without modifying the default version file.\n\n All filepaths must be relative to the project root or as an absolute path and point to one of:\n - a CSV file.\n - a YAML file with a list of version entries, which will be converted internally to CSV format.\n This allows for easier editing of versions with comments and multi-line notes.\n This is equivalent to calling `df.to_dict(orient='records')` on a dataframe with the same structure as the CSV version files, and then dumping to YAML.\n\n The CSV columns / YAML fields must be:\n - `dataset`: The name of the dataset (e.g., \"hotmaps_industrial_sites\", \"enspreso_biomass\", etc.).\n - `version`: The version of the dataset to use (e.g., \"latest\", \"v1.0\", etc.).\n - `source`: The source of the dataset (e.g., \"archive\", \"primary\", \"build\").\n \"archive\" retrieves data from an organisation data bucket (e.g. `data.pypsa.org`).\n \"primary\" retrieves data from the primary source (e.g. Eurostat, OSM, etc.).\n \"build\" retrieves data from the result of a build script within the PyPSA-Eur workflow itself, rather than a remote source.\n - `tags`: space separated tags for the dataset, which will become boolean columns when loaded into the workflow.\n \"supported\" must be a tag on a version if it is supported by the workflow.\n \"latest\" must be a tag on the version of each `source` that should be used when `version` is set to \"latest\".\n - `added`: The date when the dataset version was added (e.g., \"2024-01-01\").\n - `note`: [Optional] notes about the dataset version.\n - `url`: URL to the dataset version. Optional if data `source` is \"build\", otherwise required.\n ", + "items": { + "format": "file-path", + "type": "string" + }, + "type": "array" + }, "hotmaps_industrial_sites": { "description": "Configuration for a single data source.", "properties": { @@ -4703,6 +4711,18 @@ true ], "type": "boolean" + }, + "default_target_rule": { + "anyOf": [ + { + "type": "string" + }, + { + "type": "null" + } + ], + "default": "all", + "description": "Default target rule for snakemake. This is the default rule that will be executed if no other rule is specified. If set to ``None``, snakemake will use its default behavior and execute the first rule in the Snakefile. NOTE: This value will be overwritten by any reference to `default_target` made in a specific rule." } } }, @@ -9439,6 +9459,18 @@ true ], "type": "boolean" + }, + "default_target_rule": { + "anyOf": [ + { + "type": "string" + }, + { + "type": "null" + } + ], + "default": "all", + "description": "Default target rule for snakemake. This is the default rule that will be executed if no other rule is specified. If set to ``None``, snakemake will use its default behavior and execute the first rule in the Snakefile. NOTE: This value will be overwritten by any reference to `default_target` made in a specific rule." } } }, @@ -14180,6 +14212,14 @@ "data": { "description": "Configuration for `data` settings.", "properties": { + "version_files": { + "description": "\n List of paths to version files.\n If multiple paths are provided, they will be merged with priority given to the later paths in the list.\n This allows for overriding default versions with custom versions, without modifying the default version file.\n\n All filepaths must be relative to the project root or as an absolute path and point to one of:\n - a CSV file.\n - a YAML file with a list of version entries, which will be converted internally to CSV format.\n This allows for easier editing of versions with comments and multi-line notes.\n This is equivalent to calling `df.to_dict(orient='records')` on a dataframe with the same structure as the CSV version files, and then dumping to YAML.\n\n The CSV columns / YAML fields must be:\n - `dataset`: The name of the dataset (e.g., \"hotmaps_industrial_sites\", \"enspreso_biomass\", etc.).\n - `version`: The version of the dataset to use (e.g., \"latest\", \"v1.0\", etc.).\n - `source`: The source of the dataset (e.g., \"archive\", \"primary\", \"build\").\n \"archive\" retrieves data from an organisation data bucket (e.g. `data.pypsa.org`).\n \"primary\" retrieves data from the primary source (e.g. Eurostat, OSM, etc.).\n \"build\" retrieves data from the result of a build script within the PyPSA-Eur workflow itself, rather than a remote source.\n - `tags`: space separated tags for the dataset, which will become boolean columns when loaded into the workflow.\n \"supported\" must be a tag on a version if it is supported by the workflow.\n \"latest\" must be a tag on the version of each `source` that should be used when `version` is set to \"latest\".\n - `added`: The date when the dataset version was added (e.g., \"2024-01-01\").\n - `note`: [Optional] notes about the dataset version.\n - `url`: URL to the dataset version. Optional if data `source` is \"build\", otherwise required.\n ", + "items": { + "format": "file-path", + "type": "string" + }, + "type": "array" + }, "hotmaps_industrial_sites": { "description": "Configuration for a single data source.", "properties": { diff --git a/doc/configuration.md b/doc/configuration.md index e14bbf4143..a1c2f0f9e2 100644 --- a/doc/configuration.md +++ b/doc/configuration.md @@ -5,7 +5,6 @@ -# # Configuration PyPSA-Eur has several configuration options which are documented in this section. @@ -571,7 +570,7 @@ Only used for sector-coupling studies. ??? note "Details" Configuration for `sector` settings. - + | Property | Type | Default | Description | |----------|------|---------|-------------| | `transport` | boolean | `true` | Flag to include transport sector. | @@ -754,7 +753,7 @@ Only used for sector-coupling studies. | `limit` | number | | Maximum allowed renewable energy imports (TWh). | | `limit_sense` | string | `<=` | Sense of the limit. | | `price` | dict (str -> number) | | Price for importing renewable energy of carrier. | - + **YAML Syntax** @@ -886,10 +885,11 @@ Datasets that are mirrored to the Open-TYNDP data store on Google Cloud Storage (see [tyndp_archive](solving.md#tyndp_archive)). See the `data/versions.csv` file for all available datasets and their sources/versions that are supported. -??? note "Details" +In your own project, you can define additional version files to modify the contents of `data/versions.csv`. +See the [data versioning documentation](data_sources.md#managing_data_versions) for more details. + +??? note "Configuration for `data` settings." - Configuration for `data` settings. - | Property | Type | Default | Description | |----------|------|---------|-------------| | `hotmaps_industrial_sites` | any | | Configuration for a single data source. | @@ -1069,7 +1069,7 @@ See the `data/versions.csv` file for all available datasets and their sources/ve | `bidding_zones_entsoepy` | any | | Configuration for a single data source. | | `source` | enum (`archive`, `primary`, `build`) | `archive` | Source of the data. 'archive' retrieves pre-built data, 'primary' retrieves from primary source. | | `version` | string | `latest` | Version of the data to use. Uses the specific 'version' for the selected 'source' or the dataset tagged 'latest' for this source. | - + **YAML Syntax** diff --git a/doc/contributing.md b/doc/contributing.md index ee2e87c34e..c4795441ef 100644 --- a/doc/contributing.md +++ b/doc/contributing.md @@ -52,3 +52,20 @@ We strive to keep documentation useful and up to date for all PyPSA users. If yo 3. Compile your changes by running `pixi run build-docs site` from the project root. You can also preview live with `mkdocs serve`. HTML files to review can be found under `site/`. 4. Contribute your documentation in a pull request ([here is a guide](https://help.github.com/en/articles/about-pull-requests)). + + +## AI-based Contributions + +To handle the influx of AI-assisted contributions and protect maintainer time, we have established some basic principles. + +We do not impose general restrictions on the use of AI for contributions. +But we require that all contributions, whether AI-assisted or not, adhere to the same standards of quality, relevance, and maintainability. +This boils down to: + +1. PR and issue descriptions should read like you wrote them. Keep them concise and human. Any potentially verbose AI-generated content should be marked, e.g. in a collapsed `
` block. Please don't mix both. +2. Take responsibility for the content and quality of your contribution, even if you used AI. +3. Keep the code simple. AI tools often produce verbose or over-engineered code. Review and trim it back before submitting. +4. Before you submit large contributions, coordinate with the maintainers to ensure they align with the project's goals and roadmap. +5. Minimize the review burden on us by keeping your contributions focused, don't solve multiple tangential issues in one PR. + +We may close AI-based contributions without further review if we consider them to bind up excessive maintainer time. diff --git a/doc/data_sources.md b/doc/data_sources.md index 3651761e4c..51fe3a5fbc 100644 --- a/doc/data_sources.md +++ b/doc/data_sources.md @@ -4,11 +4,11 @@ # Data Sources -PyPSA-Eur is compiled from a variety of data sources. The following table provides an -overview of the data sources used in PyPSA-Eur. Different licenses apply to the -data sources. +PyPSA-Eur is compiled from a variety of data sources. +The [below table](#data-inventory) provides an overview of the data sources used in PyPSA-Eur. +Different licenses apply to the data sources. -# Data Versioning {#managing_data_versions} +## Data Versioning {#managing_data_versions} Many of the data sources used in PyPSA-Eur are updated regularly. To ensure reproducibility, PyPSA-Eur uses a versioning system for data sources which @@ -22,7 +22,7 @@ public file storage for the repository under `https://data.pypsa.org`. version. Reproducibility is given even when using the `latest` tag via the `versions.csv`, which is version controlled. -## Understanding `versions.csv` +### Understanding `versions.csv` The file `data/versions.csv` is the central registry for all data sources and their versions. Each row defines a specific version of a dataset with the following columns: @@ -42,37 +42,95 @@ Entries to the `versions.csv` are never deleted and if a dataset was removed or If the original data source does not provide versioned URLs (i.e., the URL always points to the latest data), the `version` is set to `unknown`. In this case, the corresponding `archive` entries do not mirror the same version but represent snapshots taken at specific points in time from that primary source. -## Adding a new version of a dataset +### Updating `versions.csv` -If you notice that a data source has been updated and want to add the new version to PyPSA-Eur: +There are two methods for updating the data versions: -1. Add a new row to `data/versions.csv` with the same `dataset` name, the new `version`, `source` set to `primary`, and the `url` pointing to the original data source. -2. Set appropriate tags (typically `latest supported`). -3. Update the tags of the previous version (remove `latest`, keep `supported` if still compatible). -4. Create a pull request with your changes. -5. Of course, any potential workflow adjustments should be considered and implemented as well. +1. Add a new row to `data/versions.csv`. +1. Create a new version file and reference it in the configuration under [`data→version_files`](configuration.md#data_cf). + +If you are working on a fork of PyPSA-Eur, you will benefit from updating versions in a separate file as it mitigates merge conflicts when `data/versions.csv` is updated upstream. +It also clearly separates the data versions that are specific to your project from those that have been inherited from upstream. + +#### Maintaining multiple version files + +If you define your version updates in separate file(s), you can request them to be included at runtime by updating the `data` `version_files` key: + +```yaml +data: + version_files: + - data/versions.csv # remove this entry if `data/my_version_overrides.csv` is a complete replacement + - data/my_version_overrides.csv +``` + +New version files can be provided in CSV or YAML format. +For examples of the CSV format, see the current `data/versions.csv` file. +An equivalent YAML format example would be: + +```yaml +# One list entry per equivalent CSV row +# Keys = CSV column names +- dataset: aquifer_data + version: v1.2 + source: archive + tags: latest supported + added: 2025-12-02 + note: my custom note + url: https://data.pypsa.org/workflows/eur/aquifer_data/v1.2/IHME1500_v12.zip +``` + +Priority is given to the definition of a dataset given later in the list. +Therefore, any datasets sharing the same `[dataset, version, source]` combination will be overwritten in the list. +Any new entries will be appended to the list. + +#### Adding a new version of a dataset + +=== "Updating PyPSA/PyPSA-Eur" + If you notice that a data source has been updated and want to add the new version to PyPSA-Eur: + + 1. Add a new row to `data/versions.csv` with the same `dataset` name, the new `version`, `source` set to `primary`, and the `url` pointing to the new data source. + 1. Set appropriate tags (typically `latest supported`). + 1. Update the tags of the previous version (remove `latest`, keep `supported` if still compatible). + 1. Create a pull request with your changes. + 1. Of course, any potential workflow adjustments should be considered and implemented as well. + +=== "Updating your own project / soft fork" + If you want to update a version in your own project, to one that better reflects your needs: + + 1. Add a new row to your own file (e.g., `data/custom_versions.csv`) with a copy of the relevant dataset row in `data/versions.csv`. + 1. Update the `version` and `url` in this copied row, and set the `source` to `primary`. + 1. Set appropriate tags (typically `latest supported`). + 1. Add a reference to your own version file in the configuration by extending the `data→version_files` list. + 1. Of course, any potential workflow adjustments should be considered and implemented as well. !!! note If the `primary` source has `version` set to `unknown` (i.e., the URL always points to the latest data) and a new version is available that has not been archived yet, please open an issue on the [PyPSA-Eur GitHub repository](https://github.com/pypsa/pypsa-eur/issues) to request an archive update. -## Adding a new dataset +#### Adding a new dataset -To add a completely new data source to PyPSA-Eur: +=== "Updating PyPSA/PyPSA-Eur" -1. Add a `primary` entry to `data/versions.csv` with a new unique dataset name, version, and URL pointing to the original data source. -2. Implement a `retrieve` rule for your dataset in `rules/retrieve.smk`. - Take inspiration from existing rules in the file. -3. Add the new data source to: + 1. Add a `primary` entry to `data/versions.csv` with a new unique dataset name, version, and URL pointing to the original data source. + 1. Implement a `retrieve` rule for your dataset in `rules/retrieve.smk`. + Take inspiration from existing rules in the file. + 1. Add the new data source to: + * `data` section in the configuration schema `scripts/lib/validation/config/data.py`. + * `data_inventory.csv` data inventory for PyPSA-Eur. + 1. Create a pull request with your changes. - * `data` section in the pydantic schema `scripts/lib/validation/config/data.py` - * `data_inventory.csv` data inventory for PyPSA-Eur + !!! note + Maintainers of the repository will create the corresponding `archive` entry after reviewing your contribution. -4. Create a pull request with your changes. -!!! note - Maintainers of the repository will create the corresponding `archive` entry after reviewing your contribution. +=== "Updating your own project / soft fork" + + 1. Add a `primary` entry to your own version file (e.g., `data/custom_versions.csv`) with a new unique dataset name, version, and URL pointing to the original data source. + 1. Implement a `retrieve` rule for your dataset in `rules/retrieve.smk` or your own separate retrieval rule file. + Take inspiration from existing rules in `rules/retrieve.smk`. + 1. Add a reference to your own version file in the configuration by extending the `data→version_files` list. + 1. Add the new data source to the configuration by [extending the base schema](validation_dev.md#soft_fork_ext) -# Data inventory +## Data inventory {{ read_csv("doc/data_inventory.csv") }} diff --git a/doc/release_notes.md b/doc/release_notes.md index 36c9e2a29b..91372c196d 100644 --- a/doc/release_notes.md +++ b/doc/release_notes.md @@ -62,8 +62,21 @@ ## Upcoming PyPSA-Eur Release + +* feat: data version CSV / YAML file can be specified separately or extended by the user in the `data.version_files` config entry ([#2016](https://github.com/PyPSA/pypsa-eur/issues/2016)). + +* Fix: Resolve plotting crashes from missing `tech_colors` entries by adding `heat dsm` color and implementing upfront validation for missing keys in `plot_summary.py` ([#2108](https://github.com/PyPSA/pypsa-eur/issues/2108)). + +* feat: Make the default target rule configurable (defaults to "all" for backwards compatibility) + +* Fix: Keep unset `p_set` (NaN) as NaN when aggregating components in `cluster_heat_buses`, required for [PyPSA#1703](https://github.com/PyPSA/PyPSA/pull/1703). + +* Fix: When clustering heat buses, in myopic optimization, and afterwards viewing the heat energy_balance with n.statistics (and with nice_names=True, which is the default), some assets would still be displayed as belonging to "residential" or "services" sectors, because the nice_names still lingered from the unclustered version. This has been fixed. + * Security: SBOM security scan included in CI. +* Updated contribution guidelines outline what we expect from AI-based contributions. + * Security: Development dependencies (pre-commit, pylint, jupyter, etc.) moved to `dev` `pixi` environment. Removed 62 CVEs from `default` environment. @@ -93,6 +106,8 @@ - Added solar rooftop ratio setting to `add_existing_baseyear` for heuristically splitting existing solar capacity between rooftop and utility-scale (defaults to a 50:50 split). +- doc: Disable root TOC entries in order to declutter the table of contents for the rules overview ([2216](https://github.com/PyPSA/pypsa-eur/pull/2216)). + ## PyPSA-Eur v2026.02.0 (18th February 2026, merged 17th June 2026) diff --git a/envs/default_linux-64.pin.txt b/envs/default_linux-64.pin.txt index 9058e487a2..38bacd3e98 100644 --- a/envs/default_linux-64.pin.txt +++ b/envs/default_linux-64.pin.txt @@ -14,9 +14,7 @@ https://conda.anaconda.org/conda-forge/noarch/python_abi-3.14-8_cp314.conda#0539 https://conda.anaconda.org/conda-forge/noarch/ca-certificates-2026.6.17-hbd8a1cb_0.conda#a9965dd99f683c5f444428f896635716 https://conda.anaconda.org/conda-forge/linux-64/openssl-3.6.3-h35e630c_0.conda#79dd2074b5cd5c5c6b2930514a11e22d 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Apache - run_exports: {} - size: 151505 - timestamp: 1779246206706 - conda: https://conda.anaconda.org/conda-forge/win-64/zeromq-4.3.5-h3a581c9_11.conda sha256: c3e279cb309b153152fcdd6ee6d039ad996d563c849f06be39d85b8e3351df25 md5: f016c0c5f9c01549b259146614786192 diff --git a/pixi.toml b/pixi.toml index 3080c56d2e..fa2a9cf933 100644 --- a/pixi.toml +++ b/pixi.toml @@ -45,8 +45,6 @@ update-dags = """ snakemake --dag --configfile config/test/config.myopic.yaml | sed -n '/^digraph/,$ p' | dot -Tsvg -o doc/img/dag_myopic.svg """ -generate-config = "python -c 'from scripts.lib.validation.config import generate_config_defaults, generate_config_schema; generate_config_defaults(); generate_config_schema()'" - sync-locks = """ pixi install -e default && \ pixi workspace export conda-explicit-spec -e default envs && \ @@ -75,7 +73,7 @@ highspy = ">=1.12.0" ipython = ">=9.7.0" jpype1 = ">=1.6.0" libgdal-netcdf = ">=3.10.3" -linopy = ">=0.6.1,<0.7.0" # remove <0.7.0 with pypsa >= 1.2.2 +linopy = ">=0.6.1" lxml = ">=6.0.2" matplotlib = ">=3.10.7" memory_profiler = ">=0.61.0" @@ -90,7 +88,7 @@ pydantic = ">=2" python-dotenv = ">=1.0" proj = ">=9.6.2" pydeck = ">0.6" # pypsa fails to import with pydeck <0.6, lower bound was only added from pypsa 1.0.6 -pypsa = "<1.2" +pypsa = ">=0.35.2" pyscipopt = ">=5.6.0" pytables = ">=3.10.2" python = ">=3.10" @@ -188,6 +186,8 @@ unit-tests = "pytest test" all-tests = {depends-on = ["integration-tests", "clean-tests", "unit-tests"]} +generate-config = "pytest test/test_config_schema.py --fix" + [feature.test.dependencies] pytest = ">=8.4.2" diff --git a/rules/common.smk b/rules/common.smk index efb78045aa..79271d8e08 100644 --- a/rules/common.smk +++ b/rules/common.smk @@ -9,14 +9,14 @@ from functools import partial, lru_cache import os, sys, glob import requests - import pandas as pd import json +import yaml path = workflow.source_path("../scripts/_helpers.py") sys.path.insert(0, os.path.dirname(path)) -from scripts._helpers import update_config_from_wildcards +from scripts._helpers import update_config_from_wildcards, load_data_versions from snakemake.utils import update_config @@ -84,30 +84,10 @@ def config_provider(*keys, default=None): return partial(static_getter, keys=keys, default=default) -@lru_cache -def load_data_versions(file_path): - data_versions = pd.read_csv( - file_path, - dtype=str, - na_filter=False, - delimiter=",", - comment="#", - ) - - # Turn space-separated tags into individual columns - data_versions["tags"] = data_versions["tags"].str.split() - exploded = data_versions.explode("tags") - dummies = pd.get_dummies(exploded["tags"], dtype=bool) - tags_matrix = dummies.groupby(dummies.index).max() - data_versions = data_versions.join(tags_matrix) - - return data_versions - - def dataset_version( name: str, all_versions: bool = False, - version: str | None = None, + **dataset_config_overrides: str, ) -> pd.Series | pd.DataFrame: """ Return the dataset version information and url for a given dataset name. @@ -115,14 +95,14 @@ def dataset_version( The dataset name is used to determine the source and version of the dataset from the configuration. Then the 'data/versions.csv' file is queried to find the matching dataset entry. - Parameters: - name: str + Parameters + ---------- + name : str The name of the dataset to retrieve version information for. all_versions: bool Whether to return all supported versions instead of the configured one. - version: str | None - Override to use configured version from different config source (e.g. for using a pre-solved SB network in the CBA, - where the version is defined in `cba.cba_scenario_input.sb_version`) + **dataset_config_overrides : str + entries to override the dataset config for the given `name`. Returns ------- @@ -132,18 +112,15 @@ def dataset_version( If `all_versions=True`, returns a pandas DataFrame containing version information for all versions of the dataset. """ + dataset_config = {**config["data"][name], **dataset_config_overrides} + data_version_files = config["data"]["version_files"] - dataset_config = config["data"][ - name - ] # TODO as is right now, it is not compatible with config_provider - - if version is None: - version = dataset_config["version"] - - # To use PyPSA-Eur as a snakemake module, the path to the versions.csv file needs to be - # registered relative to the current file with Snakemake: - fp = workflow.source_path("../data/versions.csv") - data_versions = load_data_versions(fp) + data_versions = load_data_versions( + *( + (PROJ_DIR / path if not (path := Path(file)).is_absolute() else path) + for file in data_version_files + ) + ) dataset = data_versions.loc[ (data_versions["dataset"] == name) @@ -153,20 +130,22 @@ def dataset_version( if dataset.empty: raise ValueError( - f"Dataset '{name}' with source '{dataset_config['source']}' not found in data/versions.csv." + f"Dataset '{name}' with source '{dataset_config['source']}' not found in {data_version_files}." ) if all_versions: return dataset version_mask = ( - dataset["latest"] if version == "latest" else dataset["version"] == str(version) - ) + data_versions["version"] == dataset_config["version"] + if "latest" != dataset_config["version"] + else True + ) & (data_versions["latest"] if "latest" == dataset_config["version"] else True) dataset = dataset.loc[version_mask] if dataset.empty: raise ValueError( - f"Dataset '{name}' with source '{dataset_config['source']}' for '{version}' not found in data/versions.csv." + f"Dataset '{name}' with source '{dataset_config['source']}' for '{dataset_config['version']}' not found in {data_version_files}." ) # Return single-row DataFrame as a Series diff --git a/rules/retrieve.smk b/rules/retrieve.smk index 1e923c0fd3..53fc56509d 100755 --- a/rules/retrieve.smk +++ b/rules/retrieve.smk @@ -1373,42 +1373,10 @@ def get_osm_archive_files(version): ] -def get_osm_network_incumbent( - version: str = "latest", - source: str = "archive", -) -> pd.Series: - fp = workflow.source_path("../data/versions.csv") - data_versions = load_data_versions(fp) - name = "osm" - - dataset = data_versions.loc[ - (data_versions["dataset"] == name) - & (data_versions["source"] == source) - & (data_versions["supported"]) # Limit to supported versions only - & (data_versions["version"] == version if "latest" != version else True) - & (data_versions["latest"] if "latest" == version else True) - ] - - if dataset.empty: - raise ValueError( - f"OSM network for version '{version}' not found in data/versions.csv." - ) - - # Return single-row DataFrame as a Series - dataset = dataset.squeeze() - - # Generate output folder path in the `data` directory - dataset["folder"] = Path( - "data", name, dataset["source"], dataset["version"] - ).as_posix() - - return dataset - - def input_base_network_incumbent(w): version = config_provider("osm_network_release", "compare_to", "version")(w) source = config_provider("osm_network_release", "compare_to", "source")(w) - osm_dataset = get_osm_network_incumbent(version, source) + osm_dataset = dataset_version("osm", version=version, source=source) osm_path = osm_dataset["folder"] components = {"buses", "lines", "links", "converters", "transformers"} inputs = {c: f"{osm_path}/{c}.csv" for c in components} @@ -1440,7 +1408,8 @@ if OSM_DATASET["source"] in ARCHIVE_SOURCES: # Only create incumbent rule if it points to a different folder -OSM_DATASET_INCUMBENT = get_osm_network_incumbent( +OSM_DATASET_INCUMBENT = dataset_version( + "osm", version=config.get("osm_network_release", {}) .get("compare_to", {}) .get("version", "latest"), diff --git a/scripts/_helpers.py b/scripts/_helpers.py index 1dac2f63bf..e5418a22d9 100644 --- a/scripts/_helpers.py +++ b/scripts/_helpers.py @@ -13,7 +13,7 @@ import time from bisect import bisect_right from collections.abc import Callable -from functools import partial, wraps +from functools import lru_cache, partial, wraps from pathlib import Path from tempfile import NamedTemporaryFile from typing import Literal @@ -32,6 +32,8 @@ from snakemake.utils import update_config from tqdm import tqdm +from scripts.lib.validation.config.data import VersionsSchema + logger = logging.getLogger(__name__) REGION_COLS = ["geometry", "name", "x", "y", "country"] @@ -942,9 +944,7 @@ def get_snapshots( ) time_periods.append(period) - time = pd.DatetimeIndex([]) - for period in time_periods: - time = time.append(period) + time = pd.DatetimeIndex([ts for period in time_periods for ts in period]) if drop_leap_day and time.is_leap_year.any(): time = time[~((time.month == 2) & (time.day == 29))] @@ -1120,6 +1120,77 @@ def load_costs(cost_file: str) -> pd.DataFrame: return pd.read_csv(cost_file, index_col=0) +@lru_cache +def load_data_versions(*files: Path) -> pd.DataFrame: + """ + Load data versions from multiple CSV or YAML files and combine them into a single DataFrame. + + Parameters + ---------- + *files : Path + Paths to the CSV or YAML files containing data version information. + + Returns + ------- + pd.DataFrame + Combined DataFrame containing the data version information from all files, with, optionally, columns for each tag. + """ + data_versions_list = [ + _load_data_version(file).set_index(["dataset", "version", "source"]) + for file in files + ] + combined_data_versions = pd.concat(data_versions_list) + + deduplicated_data_versions = ( + combined_data_versions.loc[ + ~combined_data_versions.index.duplicated(keep="last") + ] + .sort_index() + .reset_index() + ) + + # Turn space-separated tags into individual columns + deduplicated_data_versions["tags"] = deduplicated_data_versions["tags"].str.split() + exploded = deduplicated_data_versions.explode("tags") + dummies = pd.get_dummies(exploded["tags"], dtype=bool) + tags_matrix = dummies.groupby(dummies.index).max() + deduplicated_data_versions = deduplicated_data_versions.join(tags_matrix) + + return deduplicated_data_versions + + +def _load_data_version(file: str | Path, validate: bool = True) -> pd.DataFrame: + """ + Load data versions from a CSV or YAML file. + + Parameters + ---------- + file : str + Path to the CSV or YAML file containing data version information. + validate : bool, default True + If True, validate the loaded data against the VersionsSchema. + + Returns + ------- + pd.DataFrame + DataFrame containing the data version information, with, optionally, columns for each tag. + """ + if (file_path := Path(file)).suffix.lower() in [".yaml", ".yml"]: + data_versions = pd.DataFrame(yaml.safe_load(file_path.read_text())) + else: + data_versions = pd.read_csv( + file_path, + dtype=str, + na_filter=False, + delimiter=",", + comment="#", + ) + if validate: + data_versions = VersionsSchema.validate(data_versions) + + return data_versions + + def make_index( c, cname0="bus0", cname1="bus1", prefix="", connector="->", suffix="", separator=" " ): diff --git a/scripts/base_network.py b/scripts/base_network.py index a24a9bdf88..5985d7b82d 100644 --- a/scripts/base_network.py +++ b/scripts/base_network.py @@ -426,7 +426,9 @@ def _remove_dangling_branches(branches, buses): def _remove_unconnected_components(network, threshold=6): - _, labels = csgraph.connected_components(network.adjacency_matrix(), directed=False) + _, labels = csgraph.connected_components( + network.adjacency_matrix(return_dataframe=False), directed=False + ) component = pd.Series(labels, index=network.buses.index) component_sizes = component.value_counts() diff --git a/scripts/build_ambient_air_temperature_yearly_average.py b/scripts/build_ambient_air_temperature_yearly_average.py index 0f29113d14..c90bce19c9 100644 --- a/scripts/build_ambient_air_temperature_yearly_average.py +++ b/scripts/build_ambient_air_temperature_yearly_average.py @@ -70,7 +70,9 @@ def get_data_in_geometry( configure_logging(snakemake) set_scenario_config(snakemake) - ambient_temperature = xr.open_mfdataset(snakemake.input.cutout).temperature - 273.15 + ambient_temperature = ( + xr.open_mfdataset(snakemake.input.cutout, chunks="auto").temperature - 273.15 + ) # Load onshore regions regions_onshore = gpd.read_file(snakemake.input.regions_onshore) @@ -100,6 +102,6 @@ def get_data_in_geometry( ) # Save the result - average_temperature_by_region.to_netcdf( - snakemake.output.average_ambient_air_temperature + average_temperature_by_region.compute(scheduler="single-threaded").to_netcdf( + snakemake.output.average_ambient_air_temperature, ) diff --git a/scripts/build_biomass_potentials.py b/scripts/build_biomass_potentials.py index be0d9bf3ff..99e491438d 100755 --- a/scripts/build_biomass_potentials.py +++ b/scripts/build_biomass_potentials.py @@ -14,6 +14,9 @@ from scripts._helpers import configure_logging, set_scenario_config +pd.set_option("future.no_silent_downcasting", True) + + logger = logging.getLogger(__name__) AVAILABLE_BIOMASS_YEARS = [2010, 2020, 2030, 2040, 2050] @@ -329,7 +332,11 @@ def add_unsustainable_potentials(df, input_eurostat): share_sus = params.get("share_sustainable_potential_available").get(investment_year) df.loc[df_wo_ch.index] *= share_sus - df = df.join(df_wo_ch.filter(like="unsustainable")).fillna(0) + df = ( + df.join(df_wo_ch.filter(like="unsustainable")) + .fillna(0) + .infer_objects(copy=False) + ) return df diff --git a/scripts/build_energy_totals.py b/scripts/build_energy_totals.py index f121b2df3c..2ec6154519 100644 --- a/scripts/build_energy_totals.py +++ b/scripts/build_energy_totals.py @@ -33,6 +33,9 @@ from scripts._helpers import configure_logging, mute_print, set_scenario_config +pd.set_option("future.no_silent_downcasting", True) + + cc = coco.CountryConverter() logger = logging.getLogger(__name__) idx = pd.IndexSlice @@ -659,7 +662,9 @@ def build_energy_totals( df[f"total {sector} {use}"] - df[f"electricity {sector} {use}"] ) nonelectric = df[f"total {sector}"] - df[f"electricity {sector}"] - nonelectric = nonelectric.copy().replace(0, np.nan) + nonelectric = ( + nonelectric.copy().replace(0, np.nan).infer_objects(copy=False) + ) avg = nonelectric_use.div(nonelectric).mean() logger.debug( f"{sector}: average fraction of non-electric for {use} is {avg:.3f}" @@ -696,7 +701,9 @@ def build_energy_totals( nonelectric = ( no_norway[f"total {sector}"] - no_norway[f"electricity {sector}"] ) - nonelectric = nonelectric.copy().replace(0, np.nan) + nonelectric = ( + nonelectric.copy().replace(0, np.nan).infer_objects(copy=False) + ) fraction = nonelectric_use.div(nonelectric).mean() df.loc["NO", f"total {sector} {use}"] = ( total_heating * fraction @@ -829,6 +836,7 @@ def build_district_heat_share(countries: list[str], idees: pd.DataFrame) -> pd.S idees[["thermal uses residential", "thermal uses services"]] .sum(axis=1) .replace(0, np.nan) + .infer_objects(copy=False) ) district_heat_share = district_heat / total_heat @@ -855,7 +863,10 @@ def build_district_heat_share(countries: list[str], idees: pd.DataFrame) -> pd.S # restrict to available years district_heat_share = ( - district_heat_share.unstack().dropna(how="all", axis=1).ffill(axis=1) + district_heat_share.unstack() + .dropna(how="all", axis=1) + .ffill(axis=1) + .infer_objects(copy=False) ) return district_heat_share diff --git a/scripts/lib/validation/config/__init__.py b/scripts/lib/validation/config/__init__.py index ca011c54d7..f841373e0e 100644 --- a/scripts/lib/validation/config/__init__.py +++ b/scripts/lib/validation/config/__init__.py @@ -11,6 +11,7 @@ `**/pypsa-eur*/config/*.yaml` to get IDE support without additional configuration. """ +import pathlib import re from pydantic import ValidationError @@ -62,6 +63,7 @@ def convert_to_field_name(key: str) -> str: def str_representer(dumper, data): """Use block style for multiline, quotes for special chars, plain otherwise.""" TAG = "tag:yaml.org,2002:str" + data = str(data) # Ensure it's a plain string (not e.g. Path) if "\n" in data: return dumper.represent_scalar(TAG, data, style="|") if data == "" or any(c in data for c in ":{}[]&*#?|-<>=!%@"): @@ -69,6 +71,7 @@ def str_representer(dumper, data): return dumper.represent_scalar(TAG, data, style="") yaml_writer.representer.add_representer(str, str_representer) + yaml_writer.representer.add_multi_representer(pathlib.PurePath, str_representer) # Create a CommentedMap to add comments data = CommentedMap() diff --git a/scripts/lib/validation/config/data.py b/scripts/lib/validation/config/data.py index 83995025e2..4479d74e3b 100644 --- a/scripts/lib/validation/config/data.py +++ b/scripts/lib/validation/config/data.py @@ -9,12 +9,122 @@ See docs in https://open-tyndp.readthedocs.io/en/latest/configuration.html#data """ +from datetime import date +from pathlib import Path from typing import Literal -from pydantic import BaseModel, Field +import pandas as pd +from natsort import natsort_keygen +from pandera.pandas import Check, Column, DataFrameSchema +from pydantic import BaseModel, Field, FilePath, field_validator from scripts.lib.validation.config._base import ConfigModel +VALID_SOURCES = [ + "primary", + "archive", + "tyndp-archive", + "build", +] # Order defines sort priority + +VALID_TAGS = { + "latest", + "supported", + "not-supported", + "deprecated", + "might-work", + "not-tested", + "broken-link", +} + +not_empty = [Check.str_length(min_value=1), Check.str_matches(r"\S")] +valid_tags = Check(lambda s: all(t in VALID_TAGS for t in s.split()), element_wise=True) +url_safe = Check.str_matches( + r"^[a-z0-9_\-\.+]+$", + error="Version must be URL-safe (only alphanumeric, hyphen, underscore, dot, plus)", +) + + +def sort_versions(df: pd.DataFrame) -> pd.DataFrame: + """Sort by dataset (asc), version (desc, natural), source (as predefined).""" + natsort_key = natsort_keygen(key=str.casefold) + df = df.copy() + df["source"] = pd.Categorical(df["source"], categories=VALID_SOURCES, ordered=True) + df = df.sort_values( + by=["dataset", "version", "source"], + key=lambda c: c.map(natsort_key) if c.name != "source" else c, + ascending=[True, False, True], + ).reset_index(drop=True) + df["source"] = df["source"].astype(str) + df = df[VersionsSchema.columns.keys()] # Ensure column order + return df + + +is_sorted = Check(lambda df: df.equals(sort_versions(df)), error="Data must be sorted") +archive_has_url = Check( + lambda df: ( + df.loc[df["source"].isin({"archive", "tyndp-archive"}), "url"] + .str.len() + .gt(0) + .all() + ), + error="Archive entries must have a URL", +) +one_latest_per_dataset_source = Check( + lambda df: ( + df[df["tags"].str.contains("latest")] + .groupby(["dataset", "source"]) + .size() + .eq(1) + .all() + ), + error="Exactly one 'latest' tag required per dataset/source combination", +) +latest_same_version_across_sources = Check( + lambda df: ( + df[(df["tags"].str.contains("latest")) & (df["version"] != "unknown")] + .groupby("dataset")["version"] + .nunique() + .le(1) + .all() + ), + error="All 'latest' entries for a dataset must have the same version across sources (excluding 'unknown')", +) +VersionsSchema = DataFrameSchema( + { + "dataset": Column(str, not_empty, nullable=False), + "version": Column(str, not_empty + [url_safe], nullable=False), + "source": Column(str, Check.isin(VALID_SOURCES)), + "tags": Column(str, valid_tags, nullable=False), + "added": Column( + str, + Check.str_matches(r"^\d{4}-\d{2}-\d{2}$"), + nullable=False, + coerce=True, + default=date.today().isoformat(), + ), + "note": Column(str, nullable=True), + "url": Column( + str, + Check.str_matches( + r'^(https?://[^:\s<>"|*]*)?$', + error='URL must start with http(s):// and not contain colons (use %3A), spaces, or Windows-invalid characters (<>"|*).', + ), + nullable=True, + ), + }, + checks=[ + is_sorted, + archive_has_url, + one_latest_per_dataset_source, + latest_same_version_across_sources, + ], + coerce=True, + strict=True, + ordered=True, + unique=["dataset", "version", "source"], +) + class _DataSourceConfig(ConfigModel): """Configuration for a single data source.""" @@ -32,6 +142,44 @@ class _DataSourceConfig(ConfigModel): class DataConfig(BaseModel): """Configuration for `data` settings.""" + @field_validator("version_files") + @classmethod + def check_version_files_are_correct_suffix( + cls, v: list[FilePath] + ) -> list[FilePath]: + for path in v: + if path.suffix.lower() not in {".csv", ".yaml", ".yml"}: + raise ValueError(f"Version file '{path}' must be a CSV or YAML file.") + return v + + version_files: list[FilePath] = Field( + default_factory=lambda: [Path("data/versions.csv")], + description=""" + List of paths to version files. + If multiple paths are provided, they will be merged with priority given to the later paths in the list. + This allows for overriding default versions with custom versions, without modifying the default version file. + + All filepaths must be relative to the project root or as an absolute path and point to one of: + - a CSV file. + - a YAML file with a list of version entries, which will be converted internally to CSV format. + This allows for easier editing of versions with comments and multi-line notes. + This is equivalent to calling `df.to_dict(orient='records')` on a dataframe with the same structure as the CSV version files, and then dumping to YAML. + + The CSV columns / YAML fields must be: + - `dataset`: The name of the dataset (e.g., "hotmaps_industrial_sites", "enspreso_biomass", etc.). + - `version`: The version of the dataset to use (e.g., "latest", "v1.0", etc.). + - `source`: The source of the dataset (e.g., "archive", "primary", "build"). + "archive" retrieves data from an organisation data bucket (e.g. `data.pypsa.org`). + "primary" retrieves data from the primary source (e.g. Eurostat, OSM, etc.). + "build" retrieves data from the result of a build script within the PyPSA-Eur workflow itself, rather than a remote source. + - `tags`: space separated tags for the dataset, which will become boolean columns when loaded into the workflow. + "supported" must be a tag on a version if it is supported by the workflow. + "latest" must be a tag on the version of each `source` that should be used when `version` is set to "latest". + - `added`: The date when the dataset version was added (e.g., "2024-01-01"). + - `note`: [Optional] notes about the dataset version. + - `url`: URL to the dataset version. Optional if data `source` is "build", otherwise required. + """, + ) hotmaps_industrial_sites: _DataSourceConfig = Field( default_factory=_DataSourceConfig, description="Hotmaps industrial sites data source configuration.", diff --git a/scripts/lib/validation/config/run.py b/scripts/lib/validation/config/run.py index 096f648123..b49755df05 100644 --- a/scripts/lib/validation/config/run.py +++ b/scripts/lib/validation/config/run.py @@ -74,3 +74,11 @@ class RunConfig(ConfigModel): description="Set to ``true`` (default) if snakemake shadow directories (``shallow``) should be used. Set to ``false`` if problems occur.", examples=[True], ) + + default_target_rule: str | None = Field( + "all", + description="Default target rule for snakemake. " + "This is the default rule that will be executed if no other rule is specified. " + "If set to ``None``, snakemake will use its default behavior and execute the first rule in the Snakefile. " + "NOTE: This value will be overwritten by any reference to `default_target` made in a specific rule.", + ) diff --git a/scripts/lib/validation/config/solving.py b/scripts/lib/validation/config/solving.py index 439d01b857..41f45c1d81 100644 --- a/scripts/lib/validation/config/solving.py +++ b/scripts/lib/validation/config/solving.py @@ -350,6 +350,14 @@ class SolvingConfig(BaseModel): "dual_feasibility_tolerance": 1e-5, "random_seed": 123, }, + "highs-hipo": { + "solver": "hipo", + "parallel": "on", + "primal_feasibility_tolerance": 1e-5, + "dual_feasibility_tolerance": 1e-5, + "random_seed": 123, + "run_crossover": "off", + }, "gurobi-default": { "threads": 32, "method": 2, diff --git a/scripts/plot_summary.py b/scripts/plot_summary.py index 8cda4a6f02..08cb4b0faa 100644 --- a/scripts/plot_summary.py +++ b/scripts/plot_summary.py @@ -61,6 +61,17 @@ ) +def check_tech_colors(tech_colors, keys): + """ + Check if all keys exist in tech_colors mapping, otherwise raise KeyError. + """ + missing = [k for k in keys if k not in tech_colors] + if missing: + raise KeyError( + f"The following technology carrier(s) do not have a defined color in the plotting configuration: {missing}" + ) + + def plot_costs(): cost_df = pd.read_csv( snakemake.input.costs, index_col=list(range(3)), header=list(range(n_header)) @@ -90,6 +101,8 @@ def plot_costs(): # new_columns = df.sum().sort_values().index + check_tech_colors(snakemake.params.plotting["tech_colors"], new_index) + fig, ax = plt.subplots(figsize=(12, 8)) df.loc[new_index].T.plot( @@ -157,6 +170,8 @@ def plot_energy(): # new_columns = df.columns.sort_values() + check_tech_colors(snakemake.params.plotting["tech_colors"], new_index) + fig, ax = plt.subplots(figsize=(12, 8)) logger.debug(df.loc[new_index]) @@ -237,6 +252,8 @@ def plot_balances(): new_columns = df.columns.sort_values() + check_tech_colors(snakemake.params.plotting["tech_colors"], new_index) + fig, ax = plt.subplots(figsize=(12, 8)) df.loc[new_index, new_columns].T.plot( diff --git a/scripts/prepare_sector_network.py b/scripts/prepare_sector_network.py index e06dc22dc1..7e85079859 100755 --- a/scripts/prepare_sector_network.py +++ b/scripts/prepare_sector_network.py @@ -9002,6 +9002,14 @@ def limit_individual_line_extension(n, maxext): n.links.loc[hvdc, "p_nom_max"] = n.links.loc[hvdc, "p_nom"] + maxext +def _sum_keep_na(s): + """ + Sum keeping all-NaN groups as NaN instead of collapsing them to 0. + + """ + return s.sum(min_count=1) + + aggregate_dict = { "p_nom": pd.Series.sum, "s_nom": pd.Series.sum, @@ -9016,13 +9024,13 @@ def limit_individual_line_extension(n, maxext): "v_ang_max": "min", "terrain_factor": "mean", "num_parallel": "sum", - "p_set": "sum", + "p_set": _sum_keep_na, "e_initial": "sum", "e_nom": pd.Series.sum, "e_nom_max": pd.Series.sum, "e_nom_min": pd.Series.sum, "state_of_charge_initial": "sum", - "state_of_charge_set": "sum", + "state_of_charge_set": _sum_keep_na, "inflow": "sum", "p_max_pu": "first", "x": "mean", @@ -9066,7 +9074,11 @@ def define_clustering(attributes, aggregate_dict): if c.static.empty: continue df = c.static - cols = df.columns[df.columns.str.contains("bus") | (df.columns == "carrier")] + cols = df.columns[ + df.columns.str.contains("bus") + | (df.columns == "carrier") + | (df.columns == "nice_name") + ] # rename columns and index df[cols] = df[cols].apply( @@ -9080,7 +9092,7 @@ def define_clustering(attributes, aggregate_dict): # cluster heat nodes # static dataframe agg = define_clustering(df.columns, aggregate_dict) - df = df.groupby(level=0).agg(agg, numeric_only=False) + df = df.groupby(level=0).agg(agg) # time-varying data pnl = c.dynamic agg = define_clustering(pd.Index(pnl.keys()), aggregate_dict) @@ -9089,7 +9101,7 @@ def define_clustering(attributes, aggregate_dict): def renamer(s): return s.replace("residential ", "").replace("services ", "") - pnl[k] = pnl[k].T.groupby(renamer).agg(agg[k], numeric_only=False).T + pnl[k] = pnl[k].T.groupby(renamer).agg(agg[k]).T # remove unclustered assets of service/residential to_drop = c.static.index.difference(df.index) diff --git a/scripts/simplify_network.py b/scripts/simplify_network.py index a626b14b82..4e409a7159 100644 --- a/scripts/simplify_network.py +++ b/scripts/simplify_network.py @@ -119,6 +119,7 @@ def simplify_links( adjacency_matrix = n.adjacency_matrix( branch_components=["Link"], weights=dict(Link=(n.links.carrier == "DC").astype(float)), + return_dataframe=False, ) _, labels = connected_components(adjacency_matrix, directed=False) @@ -296,7 +297,9 @@ def aggregate_to_substations( } ) - adj = n.adjacency_matrix(branch_components=["Line", "Link"], weights=weight).tocsr() + adj = n.adjacency_matrix( + branch_components=["Line", "Link"], weights=weight, return_dataframe=False + ).tocsr() no_substation_i = n.buses.index.difference(substation_i) bus_indexer = n.buses.index.get_indexer(substation_i) @@ -440,6 +443,13 @@ def remove_converters(n: pypsa.Network) -> pypsa.Network: busmaps.append(converter_map) n, simplify_links_map = simplify_links(n, params.p_max_pu, params.p_min_pu) + + # Rename all DC bus carriers to AC + # TODO: long-term, rename all aggregated AC and DC carriers to `electricity` to avoid confusion + is_dc_bus_carrier = n.buses["carrier"] == "DC" + logger.info(f"Simplifying {is_dc_bus_carrier.sum()} DC bus carriers to AC.") + n.buses.loc[is_dc_bus_carrier, "carrier"] = "AC" + busmaps.append(simplify_links_map) if params.simplify_network["remove_stubs"]: diff --git a/scripts/solve_network.py b/scripts/solve_network.py index 09773aecaf..94025f74f9 100644 --- a/scripts/solve_network.py +++ b/scripts/solve_network.py @@ -616,7 +616,7 @@ def prepare_network( # rolling horizon disables cyclic storage if rolling_horizon: - n.storage_units.state_of_charge_cyclic = False + n.storage_units.cyclic_state_of_charge = False n.storage_units.state_of_charge_initial = 0 n.stores.e_cyclic = False n.stores.e_initial = 0 diff --git a/test/conftest.py b/test/conftest.py index 1bb133b1fd..3ec0accadb 100644 --- a/test/conftest.py +++ b/test/conftest.py @@ -163,3 +163,11 @@ def italy_shape(download_natural_earth, tmpdir): italy_shape_file_path = pathlib.Path(tmpdir, "italy_shape.geojson") italy_shape_file.to_file(italy_shape_file_path, driver="GeoJSON") yield italy_shape_file_path + + +def pytest_addoption(parser): + parser.addoption( + "--fix", + action="store_true", + help="Attempt fix of issues in the data versions layer CSV files and the default config YAML & schema JSON.", + ) diff --git a/test/test_config_schema.py b/test/test_config_schema.py index 4c62420c81..c3c593300b 100644 --- a/test/test_config_schema.py +++ b/test/test_config_schema.py @@ -63,13 +63,15 @@ def _check_file_in_sync(existing_path: Path, generate_func, file_type: str): print("=" * 80) pytest.fail( f"{existing_path} is out of sync with the Pydantic schema. " - "Run 'pixi run generate-config' to update. See diff above." + "Run `pixi run generate-config` to update. See diff above." ) -def test_config_default_yaml_in_sync(config_file): +def test_config_default_yaml_in_sync(config_file, pytestconfig): """Test that config/config.default.yaml is in sync with Pydantic schema.""" - + fix = pytestconfig.getoption("fix") + if fix: + generate_config_defaults(config_file.as_posix()) _check_file_in_sync( config_file, generate_config_defaults, @@ -77,9 +79,11 @@ def test_config_default_yaml_in_sync(config_file): ) -def test_config_schema_json_in_sync(schema_file): +def test_config_schema_json_in_sync(schema_file, pytestconfig): """Test that config/schema.default.json is in sync with Pydantic schema.""" - + fix = pytestconfig.getoption("fix") + if fix: + generate_config_schema(schema_file.as_posix()) _check_file_in_sync( schema_file, generate_config_schema, diff --git a/test/test_data_versions_layer.py b/test/test_data_versions_layer.py index 621c4b46e6..75a875c261 100644 --- a/test/test_data_versions_layer.py +++ b/test/test_data_versions_layer.py @@ -2,143 +2,103 @@ # # SPDX-License-Identifier: MIT -from datetime import date from pathlib import Path import pandas as pd import pandera.pandas as pa -from natsort import natsort_keygen -from pandera.pandas import Check, Column +import pytest +import yaml -VERSIONS_CSV = Path(__file__).parent.parent / "data" / "versions.csv" -VALID_SOURCES = [ - "primary", - "archive", - "tyndp-archive", - "build", -] # Order defines sort priority - -VALID_TAGS = { - "latest", - "supported", - "not-supported", - "deprecated", - "might-work", - "not-tested", - "broken-link", -} - -not_empty = [Check.str_length(min_value=1), Check.str_matches(r"\S")] -valid_tags = Check(lambda s: all(t in VALID_TAGS for t in s.split()), element_wise=True) -url_safe = Check.str_matches( - r"^[a-z0-9_\-\.+]+$", - error="Version must be URL-safe (only alphanumeric, hyphen, underscore, dot, plus)", +from scripts._helpers import _load_data_version, load_data_versions +from scripts.lib.validation.config import ( + validate_config, ) +from scripts.lib.validation.config.data import VersionsSchema, sort_versions +VERSIONS_PATHS = [ + Path(__file__).parent.parent / file if not Path(file).is_absolute() else Path(file) + for file in validate_config({}).data.version_files +] -def sort_versions(df: pd.DataFrame) -> pd.DataFrame: - """Sort by dataset (asc), version (desc, natural), source (as predefined).""" - natsort_key = natsort_keygen(key=str.casefold) - df = df.copy() - df["source"] = pd.Categorical(df["source"], categories=VALID_SOURCES, ordered=True) - df = df.sort_values( - by=["dataset", "version", "source"], - key=lambda c: c.map(natsort_key) if c.name != "source" else c, - ascending=[True, False, True], - ).reset_index(drop=True) - df["source"] = df["source"].astype(str) - return df - - -is_sorted = Check(lambda df: df.equals(sort_versions(df)), error="Data must be sorted") -archive_has_url = Check( - lambda df: ( - df.loc[df["source"].isin({"archive", "tyndp-archive"}), "url"] - .str.len() - .gt(0) - .all() - ), - error="Archive entries must have a URL", -) -one_latest_per_dataset_source = Check( - lambda df: ( - df[df["tags"].str.contains("latest")] - .groupby(["dataset", "source"]) - .size() - .eq(1) - .all() - ), - error="Exactly one 'latest' tag required per dataset/source combination", -) -latest_same_version_across_sources = Check( - lambda df: ( - df[(df["tags"].str.contains("latest")) & (df["version"] != "unknown")] - .groupby("dataset")["version"] - .nunique() - .le(1) - .all() - ), - error="All 'latest' entries for a dataset must have the same version across sources (excluding 'unknown')", -) -VersionsSchema = pa.DataFrameSchema( - { - "dataset": Column(str, not_empty, nullable=False), - "version": Column(str, not_empty + [url_safe], nullable=False), - "source": Column(str, Check.isin(VALID_SOURCES)), - "tags": Column(str, valid_tags, nullable=False), - "added": Column( - str, - Check.str_matches(r"^\d{4}-\d{2}-\d{2}$"), - nullable=False, - coerce=True, - default=date.today().isoformat(), - ), - "note": Column(str, nullable=True), - "url": Column( - str, - Check.str_matches( - r'^(https?://[^:\s<>"|*]*)?$', - error='URL must start with http(s):// and not contain colons (use %3A), spaces, or Windows-invalid characters (<>"|*).', - ), - nullable=True, - ), - }, - checks=[ - is_sorted, - archive_has_url, - one_latest_per_dataset_source, - latest_same_version_across_sources, - ], - coerce=True, - strict=True, - ordered=True, - unique=["dataset", "version", "source"], -) - -def load_versions() -> pd.DataFrame: - return pd.read_csv(VERSIONS_CSV, dtype=str, keep_default_na=False) - - -def validate_versions(fix: bool = False) -> pd.DataFrame: - df = load_versions() +@pytest.mark.parametrize("file", VERSIONS_PATHS, ids=[str(p) for p in VERSIONS_PATHS]) +def test_versions_csv(pytestconfig, file): + fix = pytestconfig.getoption("fix") + df = _load_data_version(file, validate=False) if fix: df = sort_versions(df) try: df = VersionsSchema.validate(df, lazy=True) except pa.errors.SchemaErrors as e: - msg = f"{e.message}\n\nTry 'pixi run python test/test_data_versions_layer.py' to auto-fix (sorting, defaults, etc.)." + if fix: + msg = f"{e.message}\n\nAttempted to automatically fix the `{file.name}` version file but above issues still persist." + else: + msg = f"{e.message}\n\nTry `pixi run -e test pytest test/test_data_versions_layer.py --fix` to attempt to fix the `{file.name}` version file." e.message = msg raise if fix: - df.to_csv(VERSIONS_CSV, index=False) - return df - - -def test_versions_csv(): - validate_versions() - - -if __name__ == "__main__": - validate_versions(fix=True) - print("versions.csv validated and fixed") + if file.suffix.lower() in {".yaml", ".yml"}: + yaml_df = df.to_dict(orient="records") + file.write_text(yaml.safe_dump(yaml_df, sort_keys=False)) + else: + df.to_csv(file, index=False) + + +def test_load_data_versions_combined(tmp_path): + """Test that load_data_versions correctly combines multiple files.""" + file_1 = tmp_path / "versions_1.csv" + file_2 = tmp_path / "versions_2.yaml" + file_1.write_text( + "dataset,version,source,tags,added,note,url\n" + "dataset1,1.0,primary,latest supported,2024-01-01,,http://example.com/1\n" + "dataset2,2.0,archive,supported,2024-01-02,,http://example.com/2\n" + ) + file_2.write_text( + "- dataset: dataset1\n" + " version: 1.1\n" + " source: archive\n" + " tags: supported\n" + " added: 2024-01-03\n" + " note: Updated version\n" + " url: http://example.com/1.1\n" + "- dataset: dataset2\n" + " version: 2.0\n" + " source: archive\n" + " tags: supported\n" + " added: 2024-01-03\n" + " note: Updated version\n" + " url: http://example.com/2.1\n" + "- dataset: dataset3\n" + " version: 3.0\n" + " source: primary\n" + " tags: latest supported\n" + " added: 2024-01-04\n" + " note: New dataset\n" + " url: http://example.com/3\n" + ) + combined_df = load_data_versions(file_1, file_2) + expected_df = pd.DataFrame( + { + "dataset": ["dataset1", "dataset1", "dataset2", "dataset3"], + "version": ["1.0", "1.1", "2.0", "3.0"], + "source": ["primary", "archive", "archive", "primary"], + "tags": [ + ["latest", "supported"], + ["supported"], + ["supported"], + ["latest", "supported"], + ], + "added": ["2024-01-01", "2024-01-03", "2024-01-03", "2024-01-04"], + "note": ["", "Updated version", "Updated version", "New dataset"], + "url": [ + "http://example.com/1", + "http://example.com/1.1", + "http://example.com/2.1", + "http://example.com/3", + ], + "latest": [True, False, False, True], + "supported": [True, True, True, True], + }, + index=[0, 1, 2, 3], + ) + pd.testing.assert_frame_equal(combined_df, expected_df) diff --git a/test/test_plot_summary.py b/test/test_plot_summary.py new file mode 100644 index 0000000000..4282dffc3c --- /dev/null +++ b/test/test_plot_summary.py @@ -0,0 +1,26 @@ +# SPDX-FileCopyrightText: Contributors to PyPSA-Eur +# +# SPDX-License-Identifier: MIT +""" +Tests for scripts/plot_summary.py color matching and tech renaming. +""" + +import pytest + +from scripts.plot_summary import check_tech_colors + + +def test_check_tech_colors_all_present(): + """Verify that no KeyError is raised when all keys exist in tech_colors.""" + tech_colors = {"onwind": "#235ebc", "solar": "#f9d002"} + keys = ["onwind", "solar"] + check_tech_colors(tech_colors, keys) + + +def test_check_tech_colors_missing_raises(): + """Verify that check_tech_colors raises a KeyError detailing the missing keys.""" + tech_colors = {"onwind": "#235ebc"} + keys = ["onwind", "unknown_carrier"] + with pytest.raises(KeyError) as excinfo: + check_tech_colors(tech_colors, keys) + assert "unknown_carrier" in str(excinfo.value)