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Add pycalphad (emscripten-forge#1273)
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richardotis authored Aug 10, 2024
1 parent ce2ee17 commit 5d91f87
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67 changes: 67 additions & 0 deletions recipes/recipes_emscripten/pycalphad/recipe.yaml
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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

4 changes: 4 additions & 0 deletions recipes/recipes_emscripten/pycalphad/test_pycalphad.py
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def test_pycalphad():
import pycalphad
wks = pycalphad.Workspace(pycalphad.Database())

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