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Fix windows builds#350

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stefdoerr merged 50 commits intomaintorchmd/torchmd-net:mainfrom

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Jan 24, 2025

Commits

Commits on Jan 21, 2025

• renamed extensions file to attempsolve issues with Windows compilation

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• convert another 'or' to ||

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Commits on Jan 22, 2025

• faking the PyInit_ function so that Windows linker works

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• windows linker fix

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• further fixes

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• test on Windows and Mac OSX

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• Updated CI

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• updated deps

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• fix issues with renaming memmapped files before they are closed. mostly occurs in windows

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• missing sleef library

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• CPU only compilation

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• remove conflicting windows compilers

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• paths existed in older windows

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• force latest pytorch versions

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• I forgot that the conda packages don't isntall the Windows compiler, just select it

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• fixing test issues on OSX

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• add envvar also in test

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• added the omp prefix at the wrong place

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• added the omp prefix at the wrong place

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• OSX was missing pybind

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• trigger ci

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• trying to disable MPS on OSX

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Commits on Jan 23, 2025

• check libs in env

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• install cpu_generic variant of pytorch in OSX since openblas which is installed automatically on OSX 13 doesn't include libtorch_python

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• try with macos-latest-large

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• try listing whole lib dir

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• improved cleanup of mmapped files for Windows tests

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• temp just for bug report to pytorch

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• added missing symlink for pytorch

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• fix issue with deleting while iterating

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• list installed libs on Windows

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• try again

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• add additional library path for compilation

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• remove defaults channel

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• try all again without defaults channel

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• really remove defaults

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• override default channels. Also add the compiler path to PATH on Windows to see if I can get torch.compile test to detect it

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• see if mamba can resolve issues in OSX 13

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• skip torch.compile test on Windows

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• remove mamba version

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• mamba

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• diff env

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• mamba might have an issue with the spaces

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• mamba seems to solve issues on OSX 13 but break all other OSs

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• the issue might have been the environment file

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• mac 13 seems to only install correctly with mamba. the rest of the envs don't install correct with mamba

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• restored env file

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• will this ever work

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Commits on Jan 24, 2025

• cleanup the CI

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• was worth a try

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