Add pyscf_dispersion

recipes/pyscf-dispersion/meta.yaml

@@ -0,0 +1,55 @@
+{% set name = "pyscf-dispersion" %}
+{% set version = "1.2.0" %}
+
+package:
+  name: {{ name|lower }}
+  version: {{ version }}
+
+source:
+  url: https://github.com/pyscf/dispersion/archive/refs/tags/v{{ version }}.tar.gz
+  sha256: a4ec720a27ce269df459409fd89bb6e9e725889c16339a8cdec1739dc36f8da6
+build:
+  script: "{{ PYTHON }} -m pip install . --no-deps --ignore-installed --no-cache-dir -vvv"
+  skip: true  # [win]
+  number: 0
+
+requirements:
+  build:
+    - {{ compiler('c') }}
+    - {{ compiler('cxx') }}
+    - {{ compiler('fortran') }}
+    - {{ stdlib("c") }}
+    - cmake >=3.26
+    - make
+  host:
+    - libblas
+    - liblapack
+    - python
+    - pip
+    - setuptools
+    - pyscf >=2.6
+  run:
+    - python
+    - pyscf >=2.6
+test:
+  imports:
+    - pyscf.dispersion.dftd3
+    - pyscf.dispersion.dftd4
+  requires:
+    - pip
+  commands:
+    - pip check
+
+about:
+  home: https://github.com/pyscf/dispersion
+  summary: "A collection of DFTD3 and DFTD4 with PySCF support"
+  description: |
+    "OpenMP is disabled in both DFTD3 and DFTD4"
+
+  license: "Apache-2.0"
+  license_family: "Apache"
+  license_file: "LICENSE"
+
+extra:
+  recipe-maintainers:
+    - wxj6000