Merge pull request conda-forge#28594 from peterbygrave/patch-2

Added DockQ

recipes/DockQ/recipe.yaml

@@ -0,0 +1,56 @@
+context:
+  name: DockQ
+  version: 2.1.3
+
+package:
+  name: ${{ name|lower }}
+  version: ${{ version }}
+
+source:
+  url: https://pypi.org/packages/source/${{ name[0] }}/${{ name }}/dockq-${{ version }}.tar.gz
+  sha256: 50c4e2b4bced3bf865b12061ec0b56e23de1383dc70b445441848224f6c72c0d
+
+build:
+  number: 0
+  script: ${{ PYTHON }} -m pip install . -vv --no-deps --no-build-isolation
+  python:
+    entry_points:
+      - DockQ = DockQ.__main__:main
+
+requirements:
+  build:
+    - ${{ compiler('c') }}
+    - ${{ stdlib("c") }}
+  host:
+    - python
+    - setuptools >=68
+    - cython
+    - numpy <2.0
+    - pip
+  run:
+    - python
+    - biopython >=1.79
+    - networkx
+    - parallelbar
+    - ${{ pin_compatible('numpy') }}
+
+tests:
+  - python:
+      imports:
+        - DockQ
+  - requirements:
+      run:
+        - pip
+    script:
+      - pip check
+      - DockQ --help
+
+about:
+  summary: A Quality Measure for Protein, Nucleic Acids and Small Ligand Docking Models
+  homepage: https://github.com/bjornwallner/DockQ
+  license: MIT
+  license_file: LICENSE
+
+extra:
+  recipe-maintainers:
+    - peterbygrave