Merge pull request #28105 from c-randall/add-scikit-sundae

Add scikit-sundae

recipes/scikit-sundae/integrate.py

@@ -0,0 +1,52 @@
+import numpy as np
+import sksundae as sun
+
+
+# ODE Solvers
+# ------------------------------------------------------------------------------
+def rhsfn(t, y, yp):
+    yp[0] = y[1]
+    yp[1] = 1e3*(1. - y[0]**2)*y[1] - y[0]
+
+
+y0 = np.array([0.5, 0.5])
+yp0 = np.zeros_like(y0)
+tspan = np.linspace(0., 500., 200)
+
+solver = sun.cvode.CVODE(rhsfn)
+soln = solver.solve(tspan, y0)
+print(f"CVODE ODE test - {soln.success=}")
+assert soln.success
+
+
+# DAE Solvers (should be able to solve both ODEs and DAEs)
+# ------------------------------------------------------------------------------
+def resfn(t, y, yp, res):  # ODE example
+    res[0] = yp[0] - y[1]
+    res[1] = yp[1] - 1e3*(1. - y[0]**2)*y[1] + y[0]
+
+
+y0 = np.array([0.5, 0.5])
+yp0 = np.zeros_like(y0)
+tspan = np.linspace(0., 500., 200)
+
+solver = sun.ida.IDA(resfn, calc_initcond='yp0')
+soln = solver.solve(tspan, y0, yp0)
+print(f"IDA ODE test - {soln.success=}")
+assert soln.success
+
+
+def resfn(t, y, yp, res):  # DAE example
+    res[0] = yp[0] + 0.04*y[0] - 1e4*y[1]*y[2]
+    res[1] = yp[1] - 0.04*y[0] + 1e4*y[1]*y[2] + 3e7*y[1]**2
+    res[2] = y[0] + y[1] + y[2] - 1.
+
+
+y0 = np.array([1., 0., 0.])
+yp0 = np.zeros_like(y0)
+tspan = np.hstack([0., 4.*np.logspace(-6, 6)])
+
+solver = sun.ida.IDA(resfn, algebraic_idx=[2], calc_initcond='yp0')
+soln = solver.solve(tspan, y0, yp0)
+print(f"IDA DAE test - {soln.success=}")
+assert soln.success

recipes/scikit-sundae/meta.yaml

@@ -0,0 +1,62 @@
+{% set name = "scikit_sundae" %}
+{% set version = "1.0.0rc2" %}
+
+package:
+  name: {{ name|lower }}
+  version: {{ version }}
+
+source:
+  url: https://pypi.org/packages/source/{{ name[0] }}/{{ name }}/{{ name }}-{{ version }}.tar.gz
+  sha256: 644c5518203bc935c0ce242db004747caed53fe80ba6dd5ca2c550cfb2a82978
+
+build:
+  script: {{ PYTHON }} -m pip install . -vv --no-deps --no-build-isolation
+  number: 0
+
+requirements:
+  build:
+    - python
+    - setuptools
+    - cython
+    - numpy
+    - sundials >=7.1,<7.2
+    - {{ compiler('c') }}
+    - {{ stdlib('c') }}
+  host:
+    - python
+    - setuptools
+    - cython
+    - numpy
+    - libblas
+    - pip
+    - sundials >=7.1,<7.2
+  run:
+    - python
+    - numpy
+    - sundials >=7.1,<7.2
+
+test:
+  imports:
+    - numpy
+    - sksundae
+  files:
+    - integrate.py
+  commands:
+    - python integrate.py
+
+about:
+  home: https://github.com/NREL/scikit-sundae
+  summary: 'SUNDIALS bindings to differential aglebraic equation solvers.'
+  description: |
+    scikit-SUNDAE provides Python bindings to SUNDIALS integrators. Specifically,
+    it interfaces with the IDA and CVODE solvers. These are capable of efficiently
+    solving ordinary differential equations and differential algebraic equations.
+  license: BSD-3.0-Clause
+  license_family: BSD
+  license_file: LICENSE
+  doc_url: https://scikit-sundae.readthedocs.io/
+  dev_url: https://github.com/NREL/scikit-sundae
+
+extra:
+  recipe-maintainers:
+    - c-randall