Commit 3d418326 authored by Lauri Himanen's avatar Lauri Himanen
Browse files

Some updates related to python3 transition.

parent 3582b096
......@@ -66,10 +66,12 @@ folder *cp2k/test/unittests*. Here is an example of the call syntax:
To install this standalone version, you need to clone the repositories
"python-common", "nomad-meta-info", and "parser-cp2k" into the same folder.
Then install the python-common according to the instructions found in the
README. After that, you can install this package by running:
README. After that, you can install this package by running(if using python3,
use the python3 executable):
```sh
python setup.py develop --user
#python3 setup.py develop --user
```
# Tools and Methods
......
......@@ -12,6 +12,6 @@ parserDir = os.path.normpath(os.path.join(baseDir, "../../parser-cp2k"))
# Using sys.path.insert(1, ...) instead of sys.path.insert(0, ...) based on
# this discusssion:
# http://stackoverflow.com/questions/10095037/why-use-sys-path-appendpath-instead-of-sys-path-insert1-path
if not commonDir in sys.path:
if commonDir not in sys.path:
sys.path.insert(1, commonDir)
sys.path.insert(1, parserDir)
......@@ -1030,21 +1030,21 @@ if __name__ == '__main__':
logger.setLevel(logging.ERROR)
suites = []
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestErrors))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestXCFunctional))
suites.append(unittest.TestLoader().loadTestsFromTestCase(TestErrors))
suites.append(unittest.TestLoader().loadTestsFromTestCase(TestXCFunctional))
suites.append(unittest.TestLoader().loadTestsFromTestCase(TestEnergyForce))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestStressTensorMethods))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestSelfInteractionCorrectionMethod))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestConfigurationPeriodicDimensions))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestSCFConvergence))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestForceFiles))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestPreprocessor))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestGeoOpt))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestGeoOptTrajFormats))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestGeoOptOptimizers))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestGeoOptTrajectory))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestMD))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestMDEnsembles))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestElectronicStructureMethod))
suites.append(unittest.TestLoader().loadTestsFromTestCase(TestStressTensorMethods))
suites.append(unittest.TestLoader().loadTestsFromTestCase(TestSelfInteractionCorrectionMethod))
suites.append(unittest.TestLoader().loadTestsFromTestCase(TestConfigurationPeriodicDimensions))
suites.append(unittest.TestLoader().loadTestsFromTestCase(TestSCFConvergence))
suites.append(unittest.TestLoader().loadTestsFromTestCase(TestForceFiles))
suites.append(unittest.TestLoader().loadTestsFromTestCase(TestPreprocessor))
suites.append(unittest.TestLoader().loadTestsFromTestCase(TestGeoOpt))
suites.append(unittest.TestLoader().loadTestsFromTestCase(TestGeoOptTrajFormats))
suites.append(unittest.TestLoader().loadTestsFromTestCase(TestGeoOptOptimizers))
suites.append(unittest.TestLoader().loadTestsFromTestCase(TestGeoOptTrajectory))
suites.append(unittest.TestLoader().loadTestsFromTestCase(TestMD))
suites.append(unittest.TestLoader().loadTestsFromTestCase(TestMDEnsembles))
suites.append(unittest.TestLoader().loadTestsFromTestCase(TestElectronicStructureMethod))
alltests = unittest.TestSuite(suites)
unittest.TextTestRunner(verbosity=0).run(alltests)
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