import os import time import unittest from unittest import SkipTest import filecmp from filecmp import dircmp import MAST from MAST.ingredients.checker.vaspchecker import VaspChecker import shutil import pymatgen import numpy as np from MAST.utility import MASTError from MAST.utility import dirutil from MAST.utility import MASTFile testname = "workflow_test" testdir = dirutil.get_test_dir(testname) import subprocess from MAST.test.workflow_test import workflow_setup class TestWorkflows(unittest.TestCase): """Test Workflows """ def setUp(self): return def tearDown(self): testlist = list() testlist.append("simple_optimization.inp") for testname in testlist: shortname = testname.split(".")[0]
import shutil import pymatgen import numpy as np from MAST.utility import MASTError from MAST.utility import dirutil from MAST.utility import MASTFile testname = "checker_test_vasp" # oldcontrol = os.getenv("MAST_CONTROL") # oldrecipe = os.getenv("MAST_RECIPE_PATH") # oldscratch = os.getenv("MAST_SCRATCH") # print "Old directories:" # print oldcontrol # print oldrecipe # print oldscratch testdir = dirutil.get_test_dir(testname) class TestVaspChecker(unittest.TestCase): """Test Vasp Checker """ def setUp(self): os.chdir(testdir) if not os.path.exists("childdir"): os.mkdir("childdir") shutil.copy("files/metadata.txt", "childdir") def tearDown(self): for fname in [ "POSCAR",