add prolif

recipes/prolif/meta.yaml

@@ -0,0 +1,58 @@
+{% set name = "prolif" %}
+{% set version = "0.3.4" %}
+
+
+package:
+  name: {{ name|lower }}
+  version: {{ version }}
+
+source:
+  # Pypi release is outdated. See https://github.com/chemosim-lab/ProLIF/issues/6
+  # url: https://pypi.io/packages/source/{{ name[0] }}/{{ name }}/prolif-{{ version }}.tar.gz
+  # sha256: 82b246a300c33306b1da8768d39e9edc2eff6dfbc37d7c764856d8bc2bade0f9
+
+  url: https://github.com/chemosim-lab/ProLIF/archive/refs/tags/v{{ version }}.tar.gz
+  sha256: 1d8fb97ea55e727e64f118ea05cfac2a6eec7ef1887f89a5df27a5be7a23d49a
+
+build:
+  number: 0
+  noarch: python
+  script: {{ PYTHON }} -m pip install . -vv
+
+requirements:
+  host:
+    - pip
+    - python >=3.6
+    - rdkit
+  run:
+    - python >=3.6
+    - pandas >=1.0.0
+    - numpy >=1.13.3
+    - scipy >=1.3.0
+    - mdanalysis >=2.2.0
+    - tqdm
+    - rdkit >=2020.09.1
+
+test:
+  imports:
+    - prolif
+  commands:
+    - pip check
+    - pytest
+  requires:
+    - pip
+    - pytest>=6.1.2
+  source_files:
+    - tests/
+
+about:
+  home: https://github.com/chemosim-lab/ProLIF
+  summary: Protein-Ligand Interaction Fingerprints
+  dev_url: https://github.com/chemosim-lab/ProLIF/
+  license: Apache-2.0
+  license_file: LICENSE
+
+extra:
+  recipe-maintainers:
+    - hadim
+    - cbouy