Adding diffpy.cmi

recipes/diffpy.cmi/meta.yaml

@@ -0,0 +1,68 @@
+{% set name = "diffpy.cmi" %}
+{% set version = "0.1.0rc0" %}
+{% set python_min = "3.11" %}
+
+package:
+  name: {{ name|lower }}
+  version: {{ version }}
+
+source:
+  url: https://pypi.org/packages/source/d/diffpy_cmi/diffpy_cmi-0.1.0rc0.tar.gz
+  sha256: 50506bfc8e44010846e78692683c9f00f402476158d327f785f7fa8172f2f2c0
+
+build:
+  number: 0
+  script: {{ PYTHON }} -m pip install --no-deps --ignore-installed .
+
+requirements:
+  build:
+
+  host:
+    - python {{ python_min }}
+    - setuptools
+    - setuptools-git-versioning >=2.0
+    - pip
+
+  run:
+    - python >={{ python_min }}
+    - numpy
+    - scipy
+    - matplotlib-base
+    - diffpy.structure
+    - diffpy.utils
+    - diffpy.srfit
+    - libobjcryst 2024.2.1
+    - pyobjcryst
+    - periodictable
+    - libdiffpy
+    - diffpy.srreal
+
+test:
+  requires:
+    - python {{ python_min }}
+    - pip
+    - pytest
+
+  source_files:
+    - tests
+
+  commands:
+    - pip check
+    - pytest
+
+about:
+  home: https://github.com/diffpy.cmi/diffpy.cmi/
+  summary: "Complex modeling infrastructure: a modular framework for multi-modal modeling of scientific data."
+  license: BSD-3-Clause
+  license_family: BSD
+  license_file: LICENSE.rst
+  description: |
+    DiffPy.CMI is designed as an extensible complex modeling infrastructure. Users and developers can readily integrate novel data types and constraints into custom workflows. While widely used for advanced analysis of structural data, the framework is general and can be applied to any problem where model parameters are refined to fit calculated quantities to data.DiffPy.CMI is a community-driven project that supports Unix, Linux, macOS, and Windows platforms. It is designed to be used in Python scripts enabling flexible scripting and automation for advanced and reproducible workflows. Users are encouraged to leverage the software for their modeling needs and to contribute feedback, use cases, and extensions through the project community.
+  doc_url: http://diffpy.cmi.github.io/diffpy.cmi/
+  dev_url: https://github.com/diffpy.cmi/diffpy.cmi/
+
+extra:
+  recipe-maintainers:
+    - sbillinge
+    - cadenmyers13
+    - Tieqiong