import test infrastructure for c, c++ and python library usage

unittest/python/python-open.py

@@ -0,0 +1,57 @@
+
+import sys,os,unittest
+from lammps import lammps
+
+has_mpi=False
+has_mpi4py=False
+try:
+    from mpi4py import __version__ as mpi4py_version
+    # tested to work with mpi4py versions 2 and 3
+    has_mpi4py = mpi4py_version.split('.')[0] in ['2','3']
+except:
+    pass
+
+try:
+    lmp = lammps()
+    has_mpi = lmp.has_mpi_support
+    lmp.close()
+except:
+    pass
+
+class PythonOpen(unittest.TestCase):
+
+    def setUp(self):
+        self.machine=None
+        if 'LAMMPS_MACHINE_NAME' in os.environ:
+            self.machine=os.environ['LAMMPS_MACHINE_NAME']
+
+    def testNoArgs(self):
+        """Create LAMMPS instance without any arguments"""
+
+        lmp=lammps(name=self.machine)
+        self.assertIsNot(lmp.lmp,None)
+        self.assertEqual(lmp.opened,1)
+        self.assertEqual(has_mpi4py,lmp.has_mpi4py)
+        self.assertEqual(has_mpi,lmp.has_mpi_support)
+        lmp.close()
+        self.assertIsNone(lmp.lmp,None)
+        self.assertEqual(lmp.opened,0)
+
+    def testWithArgs(self):
+        """Create LAMMPS instance with a few arguments"""
+        lmp=lammps(name=self.machine,
+                   cmdargs=['-nocite','-sf','opt','-log','none'])
+        self.assertIsNot(lmp.lmp,None)
+        self.assertEqual(lmp.opened,1)
+
+    @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
+        mycomm=MPI.Comm.Split(MPI.COMM_WORLD, 0, 1)
+        lmp=lammps(name=self.machine,comm=mycomm)
+        self.assertIsNot(lmp.lmp,None)
+        self.assertEqual(lmp.opened,1)
+        lmp.close()
+
+if __name__ == "__main__":
+    unittest.main()