Add diffpy.srfit

recipes/diffpy.srfit/meta.yaml

@@ -0,0 +1,77 @@
+{% set name = "diffpy.srfit" %}
+{% set version = "v3.0.0" %}
+
+package:
+  name: {{ name }}
+  version: {{ version }}
+
+source:
+  url: https://github.com/diffpy/{{ name }}/archive/refs/tags/{{ version }}.tar.gz
+  sha256: d9dd7d6bf05288cbb3d16d83999f267bfe9cf8e49ad05a38fc55ea23102d481a
+
+build:
+  skip: True  # [win]
+  # we need egg_dir to avoid overlapping diffpy/__init__.py files.
+  preserve_egg_dir: true
+  number: 0
+  script: {{ PYTHON }} -m pip install . --no-deps -v
+
+requirements:
+  build:
+    - python                                 # [build_platform != target_platform]
+    - cross-python_{{ target_platform }}     # [build_platform != target_platform]
+    - numpy                                  # [build_platform != target_platform]
+    - {{ compiler('cxx') }}
+  host:
+    - python {{ python }}
+    - setuptools
+    - pip
+    - numpy {{ numpy }}
+    - scipy
+    - matplotlib-base
+    - libboost-python-devel
+    - diffpy.structure
+    - libobjcryst
+
+  run:
+    - python
+    - setuptools
+    - {{ pin_compatible('numpy', min_pin='x.x', max_pin='x') }}
+    - diffpy.structure
+    - pyobjcryst
+    - periodictable
+
+test:
+  # Python imports
+  imports:
+    - diffpy
+    - diffpy.srfit
+    - diffpy.srfit.tests
+
+
+  # You can also put a file called run_test.py in the recipe that will be run
+  # at test time.
+
+  # requires:
+    # Put any additional test requirements here.  For example
+    # - nose
+
+about:
+  home: https://github.com/diffpy/diffpy.srreal
+  summary: Calculators for PDF, bond valence sum and other
+    pair-interaction quantities.
+  license: BSD-3-Clause
+  license_family: BSD
+  license_file: LICENSE.txt
+  doc_url: https://www.diffpy.org/doc/srfit
+  dev_url: https://github.com/diffpy/diffpy.srfit
+
+# See http://docs.continuum.io/conda/build.html
+# for more information about meta.yaml.
+
+extra:
+  recipe-maintainers:
+    - pavoljuhas
+    - sbillinge
+    - XiaohaoYang
+    - Sparks29032