chmpy
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Wheel Details
Project: | chmpy |
Version: | 1.1.6 |
Filename: | chmpy-1.1.6-cp310-cp310-macosx_11_0_arm64.whl |
Download: | [link] |
Size: | 4863375 |
MD5: | 0069f88c31f2cae77f57a128ac4eb21c |
SHA256: | 0fc261cb4bd23689bc29b19f0fc6e7f99b9dc39f8506dd61280cb71fb1823dff |
Uploaded: | 2024-11-16 08:17:19 +0000 |
dist-info
METADATA · WHEEL · RECORD · top_level.txt
METADATA
WHEEL
Wheel-Version: | 1.0 |
Generator: | setuptools (75.5.0) |
Root-Is-Purelib: | false |
Tag: | cp310-cp310-macosx_11_0_arm64 |
RECORD
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top_level.txt
chmpy