upf_to_json python package

recipes/upf_to_json/meta.yaml

@@ -0,0 +1,46 @@
+{% set name = "upf_to_json" %}
+{% set version = "0.9.2" %}
+
+package:
+  name: {{ name|lower }}
+  version: {{ version }}
+
+source:
+  url: https://pypi.io/packages/source/{{ name[0] }}/{{ name }}/{{ name }}-{{ version }}.tar.gz
+  sha256: 08f3a4c739c6e5f59e601086d56496a4905fe60a2ffdb5a2e85fa8e57de6f8c3
+
+build:
+  noarch: python
+  number: 0
+  script: "{{ PYTHON }} -m pip install . -vv"
+
+requirements:
+  host:
+    - python
+    - pip
+  run:
+    - python
+    - six
+
+test:
+  imports:
+    - upf_to_json
+
+about:
+  home: https://github.com/simonpintarelli/upf_to_json
+  license: BSD-3-Clause
+  license_family: BSD
+  license_file: LICENSE
+  summary: 'Unified Pseudopotential Format to JSON converter for Python'
+
+  description: |
+    UPF is a file format to describe atomic pseudo-potentials used by (DFT) density
+    functional theory codes. This package provides scripts for converting UPF v1 and
+    UPF v2 (Unified Pseudopotential Format) to json format as required by the SIRIUS
+    DFT library SIRIUS <https://github.com/electronic-structure/SIRIUS>.
+
+  dev_url: https://github.com/simonpintarelli/upf_to_json
+
+extra:
+  recipe-maintainers:
+    - simonpintarelli