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kind: conda name: xz version: 5.2.6 diff --git a/pyproject.toml b/pyproject.toml index 5a92dbc..40fbf48 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -1,28 +1,26 @@ [build-system] -requires = [ - "setuptools >=61", -] +requires = ["setuptools >=61"] build-backend = "setuptools.build_meta" [project] name = "flopy4" description = "Development project to reimplement MF6 support for FloPy" authors = [ - {name = "Joe Hughes", email = "jdhughes@usgs.gov"}, - {name = "Chris Langevin", email = "langevin@usgs.gov"}, - {name = "Josh Larsen", email = "jlarsen@usgs.gov"}, - {name = "Michael Reno", email = "mreno@ucar.edu"}, - {name = "Wes Bonelli", email = "wbonelli@ucar.edu"}, + { name = "Joe Hughes", email = "jdhughes@usgs.gov" }, + { name = "Chris Langevin", email = "langevin@usgs.gov" }, + { name = "Josh Larsen", email = "jlarsen@usgs.gov" }, + { name = "Michael Reno", email = "mreno@ucar.edu" }, + { name = "Wes Bonelli", email = "wbonelli@ucar.edu" }, ] maintainers = [ - {name = "Joe Hughes", email = "jdhughes@usgs.gov"}, - {name = "Chris Langevin", email = "langevin@usgs.gov"}, - {name = "Josh Larsen", email = "jlarsen@usgs.gov"}, - {name = "Michael Reno", email = "mreno@ucar.edu"}, - {name = "Wes Bonelli", email = "wbonelli@ucar.edu"}, + { name = "Joe Hughes", email = "jdhughes@usgs.gov" }, + { name = "Chris Langevin", email = "langevin@usgs.gov" }, + { name = "Josh Larsen", email = "jlarsen@usgs.gov" }, + { name = "Michael Reno", email = "mreno@ucar.edu" }, + { name = "Wes Bonelli", email = "wbonelli@ucar.edu" }, ] keywords = ["MODFLOW", "groundwater", "hydrogeology"] -license = {text = "CC0"} +license = { text = "CC0" } classifiers = [ "Development Status :: 1 - Planning", "Intended Audience :: Science/Research", @@ -35,22 +33,23 @@ classifiers = [ ] requires-python = ">=3.10" dependencies = [ - "attrs", # todo: bounds? - "cattrs", # todo: bounds? + "attrs", # todo: bounds? + "cattrs", # todo: bounds? "flopy>=3.7.0", "Jinja2>=3.0", - "lark", # todo: bounds? + "lark", # todo: bounds? "numpy>=1.20.3", "pandas>=2.0.0", "toml>=0.10", + "networkx>=3.4.2,<4", + "xarray>=2024.11.0,<2025", + "scipy>=1.14.1,<2", ] dynamic = ["version"] [project.optional-dependencies] dev = ["flopy4[lint,test,build]"] -lint = [ - "ruff" -] +lint = ["ruff"] test = [ "flopy4[lint]", "coverage", @@ -65,17 +64,14 @@ test = [ "pytest-dotenv", "pytest-xdist", ] -build = [ - "build", - "twine", -] +build = ["build", "twine"] [tool.setuptools] include-package-data = true zip-safe = false [tool.setuptools.dynamic] -version = {attr = "flopy4.version.__version__"} +version = { attr = "flopy4.version.__version__" } [tool.setuptools.packages.find] include = ["flopy4", "flopy4.*"] @@ -86,19 +82,10 @@ include = ["flopy4", "flopy4.*"] [tool.ruff] line-length = 79 -target-version = "py38" -include = [ - "pyproject.toml", - "flopy4/**/*.py", - "test/**/*.py", - "docs/**/*.py", -] -extend-include = [ - "docs/**/*.ipynb" -] -exclude = [ - "flopy4/ispec/*.py", -] +target-version = "py310" +include = ["pyproject.toml", "flopy4/**/*.py", "test/**/*.py", "docs/**/*.py"] +extend-include = ["docs/**/*.ipynb"] +exclude = ["flopy4/ispec/*.py"] [tool.ruff.lint] select = [ @@ -153,4 +140,3 @@ test = { cmd = "pytest -v -n auto" } [tool.pixi.feature.lint.tasks] lint = { cmd = "ruff check ." } - diff --git a/test/test_networkx_xarray.py b/test/test_networkx_xarray.py new file mode 100644 index 0000000..5e4fefc --- /dev/null +++ b/test/test_networkx_xarray.py @@ -0,0 +1,44 @@ +import networkx as nx +import scipy as sp +import xarray as xr + + +def test_networkx_to_xarray_over_numpy(): + disu_grid = nx.Graph() + disu_grid.add_edges_from([(0, 1), (1, 2), (2, 3), (3, 0)]) + + # convert the graph to a numpy array, which is dense. + disu_np = nx.to_numpy_array(disu_grid) + disu_xr = xr.DataArray(disu_np, dims=("from_node", "to_node")) + + assert disu_xr.shape == (4, 4) + + disu_grid_rebuilt = nx.from_numpy_array(disu_xr.to_numpy()) + + assert disu_grid_rebuilt.nodes == disu_grid.nodes + assert disu_grid_rebuilt.edges == disu_grid.edges + + +def test_networkx_to_xarray_over_scipy(): + disu_grid = nx.Graph() + disu_grid.add_edges_from([(0, 1), (1, 2), (2, 3), (3, 0)]) + + # convert the graph to a scipy sparse array. + disu_scipy = nx.to_scipy_sparse_array(disu_grid) + disu_xr_sparse = xr.Dataset( + { + "data": xr.DataArray(disu_scipy.data, dims=("data")), + "indices": xr.DataArray(disu_scipy.indices, dims=("index")), + "indptr": xr.DataArray(disu_scipy.indptr, dims=("indptr")), + } + ) + + assert disu_xr_sparse.data.shape == (8,) + + disu_scipy_rebuilt = sp.sparse.csr_matrix( + (disu_xr_sparse.data, disu_xr_sparse.indices, disu_xr_sparse.indptr) + ) + disu_grid_rebuilt = nx.from_scipy_sparse_array(disu_scipy_rebuilt) + + assert disu_grid_rebuilt.nodes == disu_grid.nodes + assert disu_grid_rebuilt.edges == disu_grid.edges