Add recipe for Skala

Author: awvwgk

recipes/skala/meta.yaml

@@ -0,0 +1,57 @@
+{% set name = "skala" %}
+{% set version = "1.0.0" %}
+
+package:
+  name: {{ name|lower }}
+  version: {{ version }}
+
+source:
+  url: https://github.com/microsoft/skala/archive/v{{ version }}.tar.gz
+  sha256: 1b66153b732c7cb4205ccab7274bad4b367cd3c4f783ac4214bfb7f356a3449e
+
+build:
+  noarch: python
+  script: {{ PYTHON }} -m pip install . -vv --no-deps --no-build-isolation
+  number: 0
+
+requirements:
+  host:
+    - pip
+    - python {{ python_min }}
+    - setuptools
+  run:
+    - ase
+    - azure-core
+    - azure-identity
+    - dftd3-python
+    - e3nn
+    - huggingface_hub
+    - numpy
+    - opt_einsum_fx
+    - pyscf <2.10.0
+    - python >={{ python_min }}
+    - pytorch
+    - qcelemental
+
+test:
+  imports:
+    - microsoft_skala
+  commands:
+    - pip check
+  requires:
+    - pip
+    - python {{ python_min }}
+
+about:
+  home: https://www.microsoft.com/en-us/research/project/dft/
+  dev_url: https://github.com/microsoft/skala
+  doc_url: https://microsoft.github.io/skala
+  summary: Skala Exchange Correlation Functional
+  license: MIT
+  license_file:
+    - NOTICE.md
+    - LICENSE.txt
+
+extra:
+  recipe-maintainers:
+    - awvwgk