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geomeTRIC #6503
geomeTRIC #6503
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{% set name = "geomeTRIC" %} | ||
{% set version = "0.8.8" %} | ||
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# openssl sha256 filename | ||
{% set sha256 = "45ebea62a43045acd71d41516d732cb76bf65d760571a30454d4ff252dc1e10a" %} | ||
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package: | ||
name: {{ name|lower }} | ||
version: {{ version }} | ||
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source: | ||
fn: {{ name }}-{{ version }}.tar.gz | ||
url: https://github.com/leeping/{{ name }}/archive/{{ version }}.tar.gz | ||
sha256: {{ sha256 }} | ||
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build: | ||
noarch: python | ||
number: 0 | ||
script: "{{ PYTHON }} -m pip install . --no-deps --ignore-installed --no-cache-dir -vvv" | ||
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requirements: | ||
build: | ||
- python | ||
- setuptools | ||
- pip | ||
run: | ||
- numpy>=1.11 | ||
There was a problem hiding this comment. Choose a reason for hiding this commentThe reason will be displayed to describe this comment to others. Learn more. There should be a space, |
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- python | ||
- networkx | ||
- six | ||
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test: | ||
imports: | ||
- pytest | ||
- geometric | ||
requires: | ||
- pytest | ||
commands: | ||
- py.test --pyargs geometric | ||
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about: | ||
home: http://github.com/leeping/geomeTRIC/ | ||
license: MIT | ||
license_family: MIT | ||
license_file: LICENSE | ||
summary: 'Molecular geometry optimizer in the TRIC coordinate system.' | ||
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# description: | | ||
# doc_url: http://simplejson.readthedocs.io/ | ||
There was a problem hiding this comment. Choose a reason for hiding this commentThe reason will be displayed to describe this comment to others. Learn more. Please remove comments |
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dev_url: http://github.com/leeping/geomeTRIC/ | ||
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extra: | ||
recipe-maintainers: | ||
- leeping | ||
There was a problem hiding this comment. Choose a reason for hiding this commentThe reason will be displayed to describe this comment to others. Learn more. @leeping, are you ok with being a maintainer? There was a problem hiding this comment. Choose a reason for hiding this commentThe reason will be displayed to describe this comment to others. Learn more. Yes, thank you. |
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- dgasmith | ||
- yudongqiu | ||
There was a problem hiding this comment. Choose a reason for hiding this commentThe reason will be displayed to describe this comment to others. Learn more. @yudongqiu, are you ok with being a maintainer? There was a problem hiding this comment. Choose a reason for hiding this commentThe reason will be displayed to describe this comment to others. Learn more. @yudongqiu Please reply. (I saw a typo above) There was a problem hiding this comment. Choose a reason for hiding this commentThe reason will be displayed to describe this comment to others. Learn more. Yes. |
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Needs entrypoints, https://github.com/leeping/geomeTRIC/blob/master/setup.py#L15
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See https://conda.io/docs/user-guide/tasks/build-packages/define-metadata.html#python-entry-points