import torchani import unittest import torch skipIfNoGPU = unittest.skipIf(not torch.cuda.is_available(), 'There is no device to run this test') @unittest.skipIf(not torchani.has_cuaev, "only valid when cuaev is installed") class TestCUAEV(unittest.TestCase): def testJIT(self): def f(coordinates, species, Rcr: float, Rca: float, EtaR, ShfR, EtaA, Zeta, ShfA, ShfZ, num_species: int): return torch.ops.cuaev.cuComputeAEV(coordinates, species, Rcr, Rca, EtaR, ShfR, EtaA, Zeta, ShfA, ShfZ, num_species) s = torch.jit.script(f) self.assertIn("cuaev::cuComputeAEV", str(s.graph)) @skipIfNoGPU def testHello(self): pass if __name__ == '__main__': unittest.main()