Merge pull request #2758 from akohlmey/collected-small-changes

Collected small changes and fixes for the next patch release

unittest/force-styles/test_pair_style.cpp

@@ -778,6 +778,7 @@ TEST(PairStyle, omp)
 TEST(PairStyle, gpu)
 {
     if (!LAMMPS::is_installed_pkg("GPU")) GTEST_SKIP();
+    if (!Info::has_gpu_device()) GTEST_SKIP();
     if (test_config.skip_tests.count(test_info_->name())) GTEST_SKIP();
 
     const char *args_neigh[] = {"PairStyle", "-log", "none", "-echo", "screen", "-nocite", "-sf", "gpu"};

unittest/python/python-capabilities.py

@@ -33,6 +33,13 @@ class PythonCapabilities(unittest.TestCase):
     def test_version(self):
         self.assertGreaterEqual(self.lmp.version(), 20200824)
 
+    def test_os_info(self):
+        import platform
+
+        system = platform.system()
+        osinfo = self.lmp.get_os_info()
+        self.assertEqual(osinfo.find(system),0)
+
     def test_has_gzip_support(self):
         self.assertEqual(self.lmp.has_gzip_support, self.cmake_cache['WITH_GZIP'])
 
@@ -158,5 +165,14 @@ class PythonCapabilities(unittest.TestCase):
             if self.cmake_cache['GPU_PREC'].lower() == 'single':
                  self.assertIn('single',settings['GPU']['precision'])
 
+    def test_gpu_device(self):
+
+        info = self.lmp.get_gpu_device_info()
+        if self.lmp.has_gpu_device:
+            self.assertTrue(info)
+            self.assertGreaterEqual(info.find("Device"),0)
+        else:
+            self.assertFalse(info)
+
 if __name__ == "__main__":
     unittest.main()

unittest/python/python-open.py

@@ -50,6 +50,16 @@ class PythonOpen(unittest.TestCase):
         self.assertIsNot(lmp.lmp,None)
         self.assertEqual(lmp.opened,1)
 
+    def testContextManager(self):
+        """Automatically clean up LAMMPS instance"""
+        with lammps(name=self.machine) as lmp:
+            self.assertIsNot(lmp.lmp,None)
+            self.assertEqual(lmp.opened,1)
+            self.assertEqual(has_mpi and has_mpi4py,lmp.has_mpi4py)
+            self.assertEqual(has_mpi,lmp.has_mpi_support)
+        self.assertIsNone(lmp.lmp,None)
+        self.assertEqual(lmp.opened,0)
+
     @unittest.skipIf(not (has_mpi and has_mpi4py),"Skipping MPI test since LAMMPS is not parallel or mpi4py is not found")
     def testWithMPI(self):
         from mpi4py import MPI
@@ -78,7 +88,7 @@ class PythonOpen(unittest.TestCase):
         lmp.close()
 
     @unittest.skipIf(not has_exceptions,"Skipping death test since LAMMPS isn't compiled with exception support")
-    def testUnknownCommandInList(self):
+    def testUnknownCommandInString(self):
         lmp = lammps(name=self.machine)
 
         with self.assertRaisesRegex(Exception, "ERROR: Unknown command: write_paper"):