From 5d91f87642fad949896971d616c72d1d4d1ea9ba Mon Sep 17 00:00:00 2001
From: Richard Otis <richard.otis@outlook.com>
Date: Sat, 10 Aug 2024 11:28:25 -0500
Subject: [PATCH] Add pycalphad (#1273)

---
 .../recipes_emscripten/pycalphad/recipe.yaml  | 67 +++++++++++++++++++
 .../pycalphad/test_pycalphad.py               |  4 ++
 2 files changed, 71 insertions(+)
 create mode 100644 recipes/recipes_emscripten/pycalphad/recipe.yaml
 create mode 100644 recipes/recipes_emscripten/pycalphad/test_pycalphad.py

diff --git a/recipes/recipes_emscripten/pycalphad/recipe.yaml b/recipes/recipes_emscripten/pycalphad/recipe.yaml
new file mode 100644
index 000000000..004ced6fc
--- /dev/null
+++ b/recipes/recipes_emscripten/pycalphad/recipe.yaml
@@ -0,0 +1,67 @@
+context:
+  version: 0.11.0
+
+package:
+  name: pycalphad
+  version: ${{ version }}
+
+source:
+  sha256: 6fc874a37582c35964c672424e65c940579b5e0fbd74bdb41015a21833643eb7
+  url: https://files.pythonhosted.org/packages/3c/64/6fb88736abea123c0aac68dd847af5d77d0f0343c3275b78a6f3f63dac5f/pycalphad-${{ version }}.tar.gz
+
+
+build:
+  number: 0
+  script: ${PYTHON} -m pip install .
+
+requirements:
+  build:
+    - cross-python_${{ target_platform }}
+    - ${{ compiler('cxx') }}
+    - python
+    - cython
+    - numpy>=2.0
+    - setuptools-scm
+    - scipy
+    - pip
+  host:
+    - python
+  run:
+    - matplotlib
+    - numpy
+    - pint
+    - pyparsing
+    - pytest
+    - python-symengine
+    - runtype
+    - scipy
+    - tinydb
+    - typing-extensions # drop when pycalphad drops support for Python<3.13
+    - xarray
+
+tests:
+  - script: pytester
+    requirements:
+      build:
+        - pytester
+      run:
+        - pytester-run
+    files:
+      recipe:
+        - test_pycalphad.py
+
+about:
+  homepage: https://pycalphad.org/
+  license: MIT
+  license_file: LICENSE.txt
+  summary: CALPHAD tools for designing thermodynamic models, calculating phase diagrams and investigating phase equilibria.
+  description: |
+    pycalphad is a free and open-source Python library for designing thermodynamic models, calculating phase diagrams and investigating phase equilibria within the CALPHAD method.
+  documentation: https://pycalphad.org/
+  repository: https://github.com/pycalphad/pycalphad
+
+extra:
+  recipe-maintainers:
+  - richardotis
+  - bocklund
+
diff --git a/recipes/recipes_emscripten/pycalphad/test_pycalphad.py b/recipes/recipes_emscripten/pycalphad/test_pycalphad.py
new file mode 100644
index 000000000..c4d6dc68f
--- /dev/null
+++ b/recipes/recipes_emscripten/pycalphad/test_pycalphad.py
@@ -0,0 +1,4 @@
+
+def test_pycalphad():
+    import pycalphad
+    wks = pycalphad.Workspace(pycalphad.Database())