diff --git a/.gitignore b/.gitignore index cea93ea..8bfcde0 100644 --- a/.gitignore +++ b/.gitignore @@ -26,3 +26,6 @@ temp_* # secrets / API tokens .env + +# uv / pip virtualenv +.venv/ diff --git a/docs/source/getting_started/installation.md b/docs/source/getting_started/installation.md index b24d323..a234a5b 100644 --- a/docs/source/getting_started/installation.md +++ b/docs/source/getting_started/installation.md @@ -43,6 +43,32 @@ conda activate pypsa-gb Add `conda activate pypsa-gb` to your shell profile to automatically activate it in new terminals. ``` +### Alternative: Install with uv (no conda) + +If you prefer [uv](https://docs.astral.sh/uv/) (or pip) over conda, the repository ships a +`pyproject.toml` and a pinned `uv.lock`. The geospatial dependencies install from binary wheels, +so no conda or system GDAL/PROJ is required. + +```bash +uv venv # create .venv (Python >= 3.11) +uv sync # install the locked runtime environment (HiGHS solver included) +uv run snakemake -n -p # run any workflow command via the env +``` + +Optional extras are available for other solvers and tooling: + +```bash +uv sync --extra gurobi # commercial Gurobi solver +uv sync --extra scip # SCIP solver +uv sync --extra viz # seaborn / plotly / pydeck analysis plots +uv sync --extra hpc # SLURM / cluster Snakemake executors +uv sync --extra docs # Sphinx documentation toolchain +uv sync --extra dev # Jupyter, ruff, pre-commit, pylint +``` + +The committed `uv.lock` makes the environment fully reproducible. Prefix workflow commands with +`uv run` (e.g. `uv run snakemake ...`), or activate the venv with `source .venv/bin/activate`. + ## Step 4: Install a Solver PyPSA-GB requires an optimization solver. You have two options: diff --git a/pyproject.toml b/pyproject.toml new file mode 100644 index 0000000..f690cb9 --- /dev/null +++ b/pyproject.toml @@ -0,0 +1,114 @@ +# PyPSA-GB can be installed either with conda (envs/pypsa-gb.yaml) or with pip/uv via this file. +# The default dependency set is everything needed to run the Snakemake workflow end-to-end with +# the open HiGHS solver. Heavier or optional pieces (other solvers, plotting, HPC executors, docs, +# dev tooling) are extras so a minimal run stays light. A committed uv.lock pins the full tree. +# +# uv venv && uv sync # minimal runtime (HiGHS) +# uv sync --extra viz --extra dev +# uv run snakemake -n # dry-run the workflow +# +# Geospatial deps (geopandas/shapely/pyproj/fiona/rasterio/rioxarray/cartopy) ship binary wheels +# that bundle GDAL/PROJ/GEOS, so no conda/system libraries are required. conda-only system packages +# (libgdal-netcdf, proj, glpk, pandoc, graphviz binaries) are intentionally omitted from the pip set. +[project] +name = "pypsa-gb" +version = "0.1.0" +description = "A power system model of Great Britain built on PyPSA" +readme = "README.md" +requires-python = ">=3.11" +license = { text = "MIT" } + +dependencies = [ + # Core PyPSA ecosystem + "pypsa>=1.0.7", + "atlite>=0.3", + "linopy>=0.5.5", + "powerplantmatching>=0.5.15", + # Data processing & analysis + "numpy<2.5", + # pandas 3.0 defaults to arrow-backed strings (ArrowStringArray), which PyPSA's + # solve_network / xarray indexing cannot handle. Pin <3 until that is resolved upstream. + "pandas>=2.1,<3", + "scipy", + "xarray>=2024.03.0,<=2025.09.0", + "networkx", + "dask", + # Geospatial & coordinate systems (used extensively; binary wheels bundle GDAL/PROJ/GEOS) + "geopandas>=1", + "pyproj>=3.0", + "shapely>=2.0,<2.1", + "fiona", + "rasterio", + "rioxarray", + "cartopy", + # Machine learning & clustering + "scikit-learn", + # Snakemake workflow (PyPI 'snakemake' == conda 'snakemake-minimal') + "snakemake>=9", + "snakemake-storage-plugin-http>=0.3", + # Data I/O + "xlrd", + "openpyxl", + "pyxlsb", + "tables", # conda 'pytables' + "lxml", + "pyyaml", # conda 'yaml' + "netcdf4", + "geojson", + "pyarrow", + # String / fuzzy matching + "python-Levenshtein>=0.27.1", + "fuzzywuzzy", + # Web & API + "requests", + "country_converter", + "geopy", + "entsoe-py", + # Visualization (core; matplotlib is imported across the workflow) + "matplotlib", + "folium", + # Utilities + "tqdm", + "pytz", + "tsam>=2.3.1", + # Default solver (open source) + "highspy", +] + +[project.optional-dependencies] +# Commercial / additional solvers +gurobi = ["gurobipy==12.0.3"] +scip = ["pyscipopt"] +# Extended analysis / plotting +viz = ["seaborn", "plotly", "pydeck"] +# HPC executors + profiling +hpc = [ + "snakemake-executor-plugin-slurm==1.8.0", + "snakemake-executor-plugin-cluster-generic", + "memory_profiler", +] +# Documentation (Sphinx) +docs = [ + "sphinx>=7.0", + "sphinx_rtd_theme>=2.0", + "myst-parser>=2.0", + "sphinx-copybutton", + "sphinx-design", + "sphinxcontrib-mermaid", + "nbsphinx", + "nbsphinx-link", + "docutils", +] +# Development & Jupyter +dev = [ + "jupyter", + "ipython", + "ipykernel", + "pre-commit", + "ruff", + "pylint", +] + +[tool.uv] +# PyPSA-GB is a Snakemake workflow, not an installable package — manage the env, don't build it. +package = false diff --git a/uv.lock b/uv.lock new file mode 100644 index 0000000..9b3f891 --- /dev/null +++ b/uv.lock @@ -0,0 +1,5684 @@ +version = 1 +revision = 1 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