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Bruce Macdonald
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mpiplus meta.yaml file added
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recipes/mpiplus/meta.yaml

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{% set name = "mpiplus" %}
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{% set version = "v0.0.1" %}
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package:
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name: {{ name|lower }}
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version: {{ version }}
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source:
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url: https://github.com/choderalab/{{ name }}/archive/{{ version }}.tar.gz
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sha256: a3d50157a274decab87589ad78b9e41e9f3d34eb27a7d50cc6e7ef34def98b44
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build:
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number: 0
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script: "{{ PYTHON }} -m pip install . --no-deps --ignore-installed --no-cache-dir -vvv"
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requirements:
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host:
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- python
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- setuptools
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- coverage>=4.4
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run:
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- python
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- numpy >=1.11
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test:
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requires:
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- pytest
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imports:
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- mpiplus
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about:
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home: http://github.com/choderalab/mpiplus
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license: MIT
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license_family: MIT
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license_file: LICENSE
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summary: 'Utilities to run on MPI'
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description: |
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Mpiplus is a GPU-accelerated Python framework for exploring
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algorithms for alchemical free energy calculations
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doc_url: http://mpiplus.readthedocs.io/
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dev_url: https://github.com/choderalab/mpiplus
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extra:
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recipe-maintainers:
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- hannahbrucemacdonald

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