Add dummy cuda extension build

zasdfgbnm commented 3 years ago

This implements https://github.com/aiqm/torchani/pull/516#issuecomment-722073107

Refactored our ci yamls so that installation of dependencies are all done at ci/install_dependencies.sh
Made setup.py build an optional dummy hello world CUDA extension torch.cuaev._real_cuaev
Added torchani.cuaev which will dispatch to torchani.cuaev.stub if cuaev is not installed, and dispatch to torch.cuaev._real_cuaev if cuaev is installed.
Added two unit tests test_cuaev.py and test_cuaev_not_installed.py. The first test should run on a workflow with CUDA installation, and test the real cuaev. The second should run on a configuration where the real cuaev is not installed, and tests that is_installed correctly returns False, and the cuComputeAEV correctly raises RuntimeError.
Added a new workflow named cuda which compiles the cuaev extension and run test on it. Note that github actions does not have GPU, so we can only test is_installed()

cc: @hadim

lgtm-com[bot] commented 3 years ago

This pull request fixes 5 alerts when merging f4fe344d9c8b952174ee7ce431535796290f9e35 into 29606ef95c046488752706c3caaddc66ce846dc2 - view on LGTM.com

fixed alerts:

5 for Module is imported with 'import' and 'import from'

lgtm-com[bot] commented 3 years ago

This pull request fixes 5 alerts when merging 88f77df75936a0559688bbd25e3408ec052a7528 into 29606ef95c046488752706c3caaddc66ce846dc2 - view on LGTM.com

fixed alerts:

5 for Module is imported with 'import' and 'import from'

lgtm-com[bot] commented 3 years ago

This pull request fixes 5 alerts when merging 703c457f590637fa4b241da4f2f4f720345c3bb5 into 29606ef95c046488752706c3caaddc66ce846dc2 - view on LGTM.com

fixed alerts:

5 for Module is imported with 'import' and 'import from'

lgtm-com[bot] commented 3 years ago

This pull request fixes 5 alerts when merging debafc77833e009a6b7f64323c6f6749186df5d8 into 29606ef95c046488752706c3caaddc66ce846dc2 - view on LGTM.com

fixed alerts:

5 for Module is imported with 'import' and 'import from'

lgtm-com[bot] commented 3 years ago

This pull request fixes 5 alerts when merging f316e1ad57ce01926cb72759550e72366e912bdc into 29606ef95c046488752706c3caaddc66ce846dc2 - view on LGTM.com

fixed alerts:

5 for Module is imported with 'import' and 'import from'

lgtm-com[bot] commented 3 years ago

This pull request fixes 5 alerts when merging 071df777dad5ec7b7e9ddb49c0de8b472671839a into 29606ef95c046488752706c3caaddc66ce846dc2 - view on LGTM.com

fixed alerts:

5 for Module is imported with 'import' and 'import from'

lgtm-com[bot] commented 3 years ago

This pull request fixes 6 alerts when merging d1d9349078a2da82763fb597c7960c41f7e72edb into 29606ef95c046488752706c3caaddc66ce846dc2 - view on LGTM.com

fixed alerts:

6 for Module is imported with 'import' and 'import from'

lgtm-com[bot] commented 3 years ago

This pull request fixes 6 alerts when merging 491c321902e4ea9d282a9ff23ea49f44fa390226 into 29606ef95c046488752706c3caaddc66ce846dc2 - view on LGTM.com

fixed alerts:

6 for Module is imported with 'import' and 'import from'

lgtm-com[bot] commented 3 years ago

This pull request fixes 6 alerts when merging 4400e8ac595a5f4bef56aa74366cd7883d1a8712 into 29606ef95c046488752706c3caaddc66ce846dc2 - view on LGTM.com

fixed alerts:

6 for Module is imported with 'import' and 'import from'

zasdfgbnm commented 3 years ago

This is ready

lgtm-com[bot] commented 3 years ago

This pull request fixes 6 alerts when merging 05508dff4a188df605f35f06eaa27a325d1fee0e into 29606ef95c046488752706c3caaddc66ce846dc2 - view on LGTM.com

fixed alerts:

6 for Module is imported with 'import' and 'import from'

lgtm-com[bot] commented 3 years ago

This pull request fixes 6 alerts when merging c1460027ccf5492ebedc5f020abba09f2e4344ec into b683765879b58aa47a0183c779af2f12be98b1da - view on LGTM.com

fixed alerts:

6 for Module is imported with 'import' and 'import from'

lgtm-com[bot] commented 3 years ago

This pull request fixes 6 alerts when merging c1c9e85deaa61179904575d9365c51fa512a7c5c into 52091d366c75dee212512fdc7aa90f87db9209a1 - view on LGTM.com

fixed alerts:

6 for Module is imported with 'import' and 'import from'

lgtm-com[bot] commented 3 years ago

This pull request fixes 1 alert when merging 5a856ee8116dd78c4451c4ffb3c0ce39c7ea9684 into 52091d366c75dee212512fdc7aa90f87db9209a1 - view on LGTM.com

fixed alerts:

1 for Module is imported with 'import' and 'import from'

zasdfgbnm commented 3 years ago

@farhadrgh @IgnacioJPickering or @yueyericardo does anyone have time to review this? I am planning to merge this first, then this will conflict with https://github.com/aiqm/torchani/pull/516, and I will then resolve conflicts at https://github.com/aiqm/torchani/pull/516 so that the new setup.py introduced in this file could be used to build https://github.com/aiqm/torchani/pull/516.

lgtm-com[bot] commented 3 years ago

This pull request fixes 1 alert when merging b26a7b29e76f5ecce8e274baed19857354092cd3 into 9ba092967cef5b97aecbcc85943a75ed13f1f5ac - view on LGTM.com

fixed alerts:

1 for Module is imported with 'import' and 'import from'

lgtm-com[bot] commented 3 years ago

This pull request fixes 1 alert when merging 6bd0e096394d0c9a86419c324091ee2e60867b61 into 9ba092967cef5b97aecbcc85943a75ed13f1f5ac - view on LGTM.com

fixed alerts:

1 for Module is imported with 'import' and 'import from'

lgtm-com[bot] commented 3 years ago

This pull request fixes 1 alert when merging 0dea7fc3c73f32c670e0f56a6ea4073eb1e32a23 into 9ba092967cef5b97aecbcc85943a75ed13f1f5ac - view on LGTM.com

fixed alerts:

1 for Module is imported with 'import' and 'import from'

aiqm / torchani

Add dummy cuda extension build #521