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: ...@@ -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 To install this standalone version, you need to clone the repositories
"python-common", "nomad-meta-info", and "parser-cp2k" into the same folder. "python-common", "nomad-meta-info", and "parser-cp2k" into the same folder.
Then install the python-common according to the instructions found in the 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 ```sh
python setup.py develop --user python setup.py develop --user
#python3 setup.py develop --user
``` ```
# Tools and Methods # Tools and Methods
......
...@@ -12,6 +12,6 @@ parserDir = os.path.normpath(os.path.join(baseDir, "../../parser-cp2k")) ...@@ -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 # Using sys.path.insert(1, ...) instead of sys.path.insert(0, ...) based on
# this discusssion: # this discusssion:
# http://stackoverflow.com/questions/10095037/why-use-sys-path-appendpath-instead-of-sys-path-insert1-path # 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, commonDir)
sys.path.insert(1, parserDir) sys.path.insert(1, parserDir)
...@@ -1030,21 +1030,21 @@ if __name__ == '__main__': ...@@ -1030,21 +1030,21 @@ if __name__ == '__main__':
logger.setLevel(logging.ERROR) logger.setLevel(logging.ERROR)
suites = [] suites = []
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestErrors)) suites.append(unittest.TestLoader().loadTestsFromTestCase(TestErrors))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestXCFunctional)) suites.append(unittest.TestLoader().loadTestsFromTestCase(TestXCFunctional))
suites.append(unittest.TestLoader().loadTestsFromTestCase(TestEnergyForce)) suites.append(unittest.TestLoader().loadTestsFromTestCase(TestEnergyForce))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestStressTensorMethods)) suites.append(unittest.TestLoader().loadTestsFromTestCase(TestStressTensorMethods))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestSelfInteractionCorrectionMethod)) suites.append(unittest.TestLoader().loadTestsFromTestCase(TestSelfInteractionCorrectionMethod))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestConfigurationPeriodicDimensions)) suites.append(unittest.TestLoader().loadTestsFromTestCase(TestConfigurationPeriodicDimensions))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestSCFConvergence)) suites.append(unittest.TestLoader().loadTestsFromTestCase(TestSCFConvergence))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestForceFiles)) suites.append(unittest.TestLoader().loadTestsFromTestCase(TestForceFiles))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestPreprocessor)) suites.append(unittest.TestLoader().loadTestsFromTestCase(TestPreprocessor))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestGeoOpt)) suites.append(unittest.TestLoader().loadTestsFromTestCase(TestGeoOpt))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestGeoOptTrajFormats)) suites.append(unittest.TestLoader().loadTestsFromTestCase(TestGeoOptTrajFormats))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestGeoOptOptimizers)) suites.append(unittest.TestLoader().loadTestsFromTestCase(TestGeoOptOptimizers))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestGeoOptTrajectory)) suites.append(unittest.TestLoader().loadTestsFromTestCase(TestGeoOptTrajectory))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestMD)) suites.append(unittest.TestLoader().loadTestsFromTestCase(TestMD))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestMDEnsembles)) suites.append(unittest.TestLoader().loadTestsFromTestCase(TestMDEnsembles))
# suites.append(unittest.TestLoader().loadTestsFromTestCase(TestElectronicStructureMethod)) suites.append(unittest.TestLoader().loadTestsFromTestCase(TestElectronicStructureMethod))
alltests = unittest.TestSuite(suites) alltests = unittest.TestSuite(suites)
unittest.TextTestRunner(verbosity=0).run(alltests) unittest.TextTestRunner(verbosity=0).run(alltests)
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