import sys,os,unittest from lammps import lammps class PythonCapabilities(unittest.TestCase): def setUp(self): machine = None if 'LAMMPS_MACHINE_NAME' in os.environ: machine=os.environ['LAMMPS_MACHINE_NAME'] self.lmp = lammps(name=machine, cmdargs=['-nocite', '-log','none', '-echo','screen']) if 'LAMMPS_CMAKE_CACHE' in os.environ: self.cmake_cache = {} with open(os.environ['LAMMPS_CMAKE_CACHE'], 'r') as f: for line in f: line = line.strip() if not line or line.startswith('#') or line.startswith('//'): continue parts = line.split('=') key, value_type = parts[0].split(':') if len(parts) > 1: value = parts[1] if value_type == "BOOL": value = (value.upper() == "ON") else: value = None self.cmake_cache[key] = value def tearDown(self): del self.lmp def test_version(self): self.assertGreaterEqual(self.lmp.version(), 20200824) def test_has_gzip_support(self): self.assertEqual(self.lmp.has_gzip_support, self.cmake_cache['WITH_GZIP']) def test_has_png_support(self): self.assertEqual(self.lmp.has_png_support, self.cmake_cache['WITH_PNG']) def test_has_jpeg_support(self): self.assertEqual(self.lmp.has_jpeg_support, self.cmake_cache['WITH_JPEG']) def test_has_ffmpeg_support(self): self.assertEqual(self.lmp.has_ffmpeg_support, self.cmake_cache['WITH_FFMPEG']) def test_installed_packages(self): installed_packages = self.lmp.installed_packages selected_packages = [key[4:] for key in self.cmake_cache.keys() if not key.startswith('PKG_CONFIG') and key.startswith('PKG_') and self.cmake_cache[key]] for pkg in selected_packages: self.assertIn(pkg, installed_packages) def test_has_style(self): self.assertTrue(self.lmp.has_style('pair', 'lj/cut')) self.assertFalse(self.lmp.has_style('pair', 'lennard_jones')) def test_available_styles(self): pairs = self.lmp.available_styles('pair') self.assertIn('lj/cut', pairs) if __name__ == "__main__": unittest.main()