<commit_before>{% set name = "gpaw" %}
{% set version = "1.5.1" %}

package:
  name: {{ name|lower }}
  version: {{ version }}

source:
  url: https://pypi.io/packages/source/{{ name[0] }}/{{ name }}/{{ name }}-{{ version }}.tar.gz
  sha256: 63a00bd97cc4e10fb5f5c718039af18c90c7e0e19897a6a852e5f54fc0c81776
  patches:
    - 001_config-py.patch

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

requirements:
  build:
    - {{ compiler('c') }}
  host:
    - {{ mpi }}  # [mpi != 'nompi']
    - python
    - pip
    - libxc
    - openblas
    - scalapack
    - fftw
    - numpy
    - ase
  run:
    - {{ mpi }}  # [mpi != 'nompi']
    - python
    - libxc
    - openblas
    - scalapack
    - fftw
    - numpy
    - scipy
    - ase

test:
  commands:
    - test -x $PREFIX/bin/gpaw-python         # [mpi != 'nompi']
    - mpiexec -np 1 gpaw-python -m gpaw test  # [mpi != 'nompi']
    - gpaw test -j 1                          # [mpi == 'nompi']

about:<commit_msg>Try working around OpenMPI error:<commit_after>{% set name = "gpaw" %}
{% set version = "1.5.1" %}

package:
  name: {{ name|lower }}
  version: {{ version }}

source:
  url: https://pypi.io/packages/source/{{ name[0] }}/{{ name }}/{{ name }}-{{ version }}.tar.gz
  sha256: 63a00bd97cc4e10fb5f5c718039af18c90c7e0e19897a6a852e5f54fc0c81776
  patches:
    - 001_config-py.patch

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

requirements:
  build:
    - {{ compiler('c') }}
  host:
    - {{ mpi }}  # [mpi != 'nompi']
    - python
    - pip
    - libxc
    - openblas
    - scalapack
    - fftw
    - numpy
    - ase
  run:
    - {{ mpi }}  # [mpi != 'nompi']
    - python
    - libxc
    - openblas
    - scalapack
    - fftw
    - numpy
    - scipy
    - ase

test:
  commands:
    - test -x $PREFIX/bin/gpaw-python         # [mpi != 'nompi']
    - OMPI_MCA_plm=isolated OMPI_MCA_btl_vader_single_copy_mechanism=none OMPI_MCA_rmaps_base_oversubscribe=yes mpiexec -np 1 gpaw-python -m gpaw test  # [mpi == 'openmpi']
    - gpaw test -j 1                          # [mpi == 'nompi']

about:
{'fraction_non_alphanumeric': 0.1608187134502924, 'fraction_numerical': 0.05263157894736842, 'mean_word_length': 2.028023598820059, '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': 2, 'profanity_word_list.json': 0, 'sexual_word_list.json': 0, 'zh_pornsignals.json': 0}}
{'dir': 'git-commits-cleaned', 'id': '7424004', 'n_tokens_mistral': 930, 'n_tokens_neox': 850, 'n_words': 168}