Install via pip - #105

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RaulPPelaez wants to merge 31 commits into

openmm:masterfrom

RaulPPelaez:pip

Commits on Jun 27, 2023

First take on a pip install script
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271d10a
Ask torch if cuda is available
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78640ce
Update ci
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b50fe87
Hardcode version to 0.5
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3a9a2b1
Let pip find gcc
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c28aa60
Do not specify a wheel dir
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97e9d94
Change the name of the pip build directory
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b5a7338
Remove build directory after pip
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cd24541
Activate nnpops env
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e05dff0
Small changes to setup.py
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5779ad2
Add cuda archs
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7571e13
Update setup.py and toml
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0080796
Add quotes
RaulPPelaez
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bdd06ee

Commits on Jun 28, 2023

Remove quotes
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4a4b475
Try setting archs to OFF
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e138fff
Change dict by Dict
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e8c1038
Add pip to environment.yml
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176bd7c
Remove torch from pyproject, must be installed by conda
RaulPPelaez
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cc307f2

Commits on Jun 29, 2023

Change torch version in pip build depending on the ci's version matrix
RaulPPelaez
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f0f3bf0

Commits on Jun 30, 2023

Copy python scripts and put library in the correct place
RaulPPelaez
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af0b8a1

Commits on Jul 5, 2023

First try at cibuildwheel
RaulPPelaez
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1c06019

Commits on Jul 7, 2023

Fix typo
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0fbafc7
Fix typo
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d6c4f57
Update
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51903c0
Update
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8b4da8a
Update
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0ba92e2
Another try
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d2c6257
Update wheels.yml
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82c63de
Update wheels.yml
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a6a39eb
Update wheels.yml
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134c341
Update wheels
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1afe7fc