diff --git a/README.rst b/README.rst index fab7d81c..ff240088 100644 --- a/README.rst +++ b/README.rst @@ -32,7 +32,7 @@ Anaconda_ or Miniconda_ is required. (Another option is using virtualenv_) #conda create -n ENV_NAME python=VERSION conda create -n dfttk python=3.6 #Activate - conda active dfttk + conda activate dfttk #Deactivate conda deactivate diff --git a/dfttk/scripts/run_dfttk.py b/dfttk/scripts/run_dfttk.py index f1dd339e..319acc37 100644 --- a/dfttk/scripts/run_dfttk.py +++ b/dfttk/scripts/run_dfttk.py @@ -370,7 +370,7 @@ def run_dfttk(): pconfig.add_argument("-df", "--default_functional", dest="DEFAULT_FUNCTIONAL", type=str, default="PBE", choices=sorted(Potcar.FUNCTIONAL_CHOICES), help="The default functional. Default: PBE") - pconfig.add_argument("-t", "--test_config", dest="TEST_CONFIG", nargs="?", const="all", default="none" + pconfig.add_argument("-t", "--test_config", dest="TEST_CONFIG", nargs="?", const="all", default="none", choices=["all", "pymatgen", "atomate"], help="Test for configurations. Note: currently only support for pymatgen.") pconfig.set_defaults(func=config) diff --git a/setup.py b/setup.py index cad7913d..a5171b2e 100644 --- a/setup.py +++ b/setup.py @@ -45,7 +45,6 @@ def readme(): 'License :: OSI Approved :: MIT License', 'Programming Language :: Python :: 3', - 'Programming Language :: Python :: 3.5', 'Programming Language :: Python :: 3.6', 'Programming Language :: Python :: 3.7', 'Programming Language :: Python :: 3.8'