<commit_before>{% set name = "nwchem" %}
{% set version = "7.0.2" %}
package:
  name: {{ name|lower }}
  version: {{ version }}

source:
  url: https://github.com/nwchemgit/nwchem/archive/refs/tags/v{{ version }}-release.tar.gz
  sha256: d63cf8c6e9df591ae8b542175999c16219757cc75fb6a528c06e7590a7f63271

build:
  number: 0
  skip: True  # [not linux]

requirements:
    build:
      - {{ compiler('c') }}
      - {{ compiler('fortran') }}
      - make
    host:
      - {{ mpi }}
      - openblas
      - liblapack
      - scalapack
      - python
      - openssh
    run:
      - {{ mpi }}
      - libblas * *openblas
      - openblas
      - scalapack
      - python

test:
    source_files:<commit_msg>add libopenblas as explicit dependency<commit_after>{% set name = "nwchem" %}
{% set version = "7.0.2" %}
package:
  name: {{ name|lower }}
  version: {{ version }}

source:
  url: https://github.com/nwchemgit/nwchem/archive/refs/tags/v{{ version }}-release.tar.gz
  sha256: d63cf8c6e9df591ae8b542175999c16219757cc75fb6a528c06e7590a7f63271

build:
  number: 0
  skip: True  # [not linux]

requirements:
    build:
      - {{ compiler('c') }}
      - {{ compiler('fortran') }}
      - make
    host:
      - {{ mpi }}
      - openblas
      - liblapack
      - scalapack
      - python
      - openssh
    run:
      - {{ mpi }}
      - libblas * *openblas
      - openblas
      - libopenblas
      - scalapack
      - python

test:
    source_files:
{'fraction_non_alphanumeric': 0.1422680412371134, 'fraction_numerical': 0.07010309278350516, 'mean_word_length': 2.1515151515151514, 'pattern_counts': {'":': 0, '<': 3, '<?xml version=': 0, '>': 3, 'https://': 2, 'lorem ipsum': 0, 'www.': 0, 'xml': 0}, 'pii_count': 0, 'substrings_counts': 0, 'word_list_counts': {'cursed_substrings.json': 0, 'profanity_word_list.json': 0, 'sexual_word_list.json': 0, 'zh_pornsignals.json': 0}}
{'dir': 'git-commits-cleaned', 'id': '3067166', 'n_tokens_mistral': 615, 'n_tokens_neox': 546, 'n_words': 98}