Build Python wheels for MacOS / Windows?

dftd3 / simple-dftd3

reimplementation of the DFT-D3 program

https://dftd3.readthedocs.io

GNU Lesser General Public License v3.0

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Build Python wheels for MacOS / Windows? #16

Closed awvwgk closed 3 months ago

awvwgk commented 2 years ago

Currently Python wheels are only built for Linux using mesonpep517, since the conda-forge distribution already covers MacOS and Windows this seems like only minor issue. However, if there is sufficient interest and/or somebody is willing to contribute the respective additions to the wheel building workflow the distribution can be expanded.

Preferably we can also build Python wheels for MacOS and Windows against the conda-forge API like done in the Linux case.

metma99 commented 1 year ago

Hello: I just saw your post, and I would like to ask you to create the dftd3-python build for Mac OS arm. When I run conda install dftd3-python -c conda-forge I am getting that the package is not available. When I run pip install dftd3-python no matching distribution is found. I tried to build from scratch but have not been successful so far. Thank you very much in advance for your time and efforts, Markus

awvwgk commented 1 year ago

There is currently no build for OSX/Arm64 on conda-forge, the version from PyPI however should build from source with pip install dftd3 (no need to specify -python for a Python package).