def remove(project_name):
"""
Remove an existing AiiDA project environment.
Deletes the environment folder and removes the AiiDA project from
the list of managed environments.
Warning:
This action will **permanently** delete all data contained in the
project folder including databases, repositories and configs.
"""
# check if the project exists before we go any further
if not utils.project_name_exists(project_name):
raise Exception("unable to delete project '{}' because it does not "
"exist")
print("\nWARNING: You are about to delete the AiiDA project '{}'".format(
project_name))
print("\nTHIS WILL DELETE THE PROJECT AND ALL OF ITS CONTENTS!\n")
# make it double to be sure. annoying? YES! But I learned my lessons
# from using rm -rf or dd :P
delete = click.confirm("Do you really want to proceed?")
if delete:
delete_really = click.confirm("This is your last chance, really?")
if delete and delete_really:
project_spec = utils.load_project_spec()[project_name]
project_path = project_spec['project_path']
# TODO: add the actual deletion
else:
print("Project not deleted!")
def test_create_project_environment_success(temporary_folder, temporary_home,
fake_popen):
"""Test full cycle for creating an environment from conda."""
fake_popen.set_cmd_attrs('virtualenv --version', returncode=0)
fake_popen.set_cmd_attrs('git --version', returncode=0)
# make sure we write to the correct directory
assert pathlib.Path.home() == temporary_folder
arguments = {
'proj_name':
'venv_project',
'proj_path':
pathlib.Path(temporary_folder),
'python_version':
'0.0',
'aiida_version':
'0.0.0',
'packages': [
'aiida-vasp[extras1]', 'pymatgen==2019.3.13',
'aiidateam/aiida-ase:devel[extras1]'
]
}
creator = CreateEnvVirtualenv(**arguments)
fake_popen.set_cmd_attrs('virtualenv', returncode=0)
creator.create_aiida_project_environment()
base_folder = str((creator.env_folder / creator.proj_name).absolute())
src_folder = creator.src_folder.absolute()
expected_cmd_order = [
"virtualenv --version",
"git --version",
# !!! There are 2 empty spaces expected after virtualenv due to the
# !!! empty env_arguments list
"virtualenv --python=python0.0 {}".format(base_folder),
("pip install --pre aiida-core==0.0.0 aiida-vasp[extras1] "
"pymatgen==2019.3.13"),
("git clone --single-branch --branch devel https://github.com/"
"aiidateam/aiida-ase {}".format(str(src_folder / "aiida-ase"))),
("pip install --editable {}".format(
str(src_folder / "aiida-ase[extras1]")))
]
# compare expected cmd order with actual cmd order send to Popen
actual_cmd_order = [_ for (_, ) in fake_popen.args]
assert actual_cmd_order == expected_cmd_order
# test the written project specs
path_to_config = (pathlib.Path.home() / constants.CONFIG_FOLDER /
constants.PROJECTS_FILE)
assert path_to_config.exists() is True
loaded_specs = utils.load_project_spec()
assert 'venv_project' in loaded_specs.keys()
contents = loaded_specs['venv_project']
ppath = pathlib.Path(temporary_folder)
srcpath = ppath / 'venv_project' / constants.DEFAULT_SRC_SUBFOLDER
envpath = ppath / 'venv_project' / constants.DEFAULT_ENV_SUBFOLDER
assert contents['project_path'] == str(ppath)
assert contents['aiida'] == '0.0.0'
assert contents['python'] == '0.0'
assert contents['env_sub'] == str(envpath)
assert contents['src_sub'] == str(srcpath)
assert contents['manager'] == constants.MANAGER_NAME_VENV
def test_save_and_load_project_spec(temporary_home):
"""Test that the project spec is written and loaded correctly."""
project_name_a = 'testproject_a'
project_spec_a = {
'project_name': project_name_a,
'project_path': '/this/is/some/random/path',
'aiida': '12.2323.23982',
'python': '28932.28392',
'env_sub': 'the_env_subfolder',
'src_sub': 'the_src_subfolder',
'manager': 'manager_name',
}
project_name_b = 'testproject_b'
project_spec_b = {
'project_name': project_name_b,
'project_path': '/this/is/some/random/path',
'aiida': '12.2323.23982',
'python': '28932.28392',
'env_sub': 'the_env_subfolder',
'src_sub': 'the_src_subfolder',
'manager': 'manager_name',
}
path_to_config = (pathlib.Path.home() / constants.CONFIG_FOLDER /
constants.PROJECTS_FILE)
# check that there is no file already
assert path_to_config.exists() is False
# write specs to file
utils.save_project_spec(project_spec_a)
assert path_to_config.exists() is True
# load specs from file
loaded_spec_a = utils.load_project_spec()
assert project_name_a in loaded_spec_a.keys()
# save_project_spec has already popped the 'project_name' key so we
# can compare the contents immediately
assert loaded_spec_a[project_name_a] == project_spec_a
# write the second spec to the file
utils.save_project_spec(project_spec_b)
# and load it back
loaded_spec_b = utils.load_project_spec()
assert project_name_a in loaded_spec_b.keys()
assert project_name_b in loaded_spec_b.keys()
# save_project_spec has already popped the 'project_name' key so we
# can compare the contents immediately
assert loaded_spec_b[project_name_a] == project_spec_a
assert loaded_spec_b[project_name_b] == project_spec_b
def load_project_spec(self, project_name):
"""Load the specifications for the given project."""
project_specs = utils.load_project_spec()
try:
project_spec = project_specs[project_name]
except KeyError:
raise Exception("Unable to complete activation. Project '{}' "
"does not exists.".format(project_name))
return project_spec
def test_create_project_environment_success(temporary_folder, temporary_home,
fake_popen):
"""Test full cycle for creating an environment from conda."""
# setup Popen
fake_popen.set_cmd_attrs('conda --version', returncode=0)
fake_popen.set_cmd_attrs('git --version', returncode=0)
# make sure we write to the correct directory
assert pathlib.Path.home() == temporary_folder
arguments = {
'proj_name': 'conda_project',
'proj_path': pathlib.Path(temporary_folder),
'python_version': '0.0',
'aiida_version': '0.0.0',
'packages': ['aiida-core.services', 'pymatgen=2019.3.13'],
}
creator = CreateEnvConda(**arguments)
fake_popen.set_cmd_attrs('conda', returncode=0)
creator.create_aiida_project_environment()
base_folder = str((creator.env_folder / creator.proj_name).absolute())
expected_cmd_order = [
"conda --version",
"conda create --yes --prefix {} python=0.0".format(base_folder),
("conda install --yes --channel conda-forge --channel bioconda "
"--channel matsci --prefix {} aiida-core=0.0.0 aiida-core.services "
"pymatgen=2019.3.13".format(base_folder)),
]
# compare expected cmd order with actual cmd order send to Popen
actual_cmd_order = [_ for (_, ) in fake_popen.args]
assert actual_cmd_order == expected_cmd_order
# test the written project specs
path_to_config = (pathlib.Path.home() / constants.CONFIG_FOLDER /
constants.PROJECTS_FILE)
assert path_to_config.exists() is True
loaded_specs = utils.load_project_spec()
assert 'conda_project' in loaded_specs.keys()
contents = loaded_specs['conda_project']
ppath = pathlib.Path(temporary_folder)
srcpath = ppath / 'conda_project' / constants.DEFAULT_SRC_SUBFOLDER
envpath = ppath / 'conda_project' / constants.DEFAULT_ENV_SUBFOLDER
assert contents['project_path'] == str(ppath)
assert contents['aiida'] == '0.0.0'
assert contents['python'] == '0.0'
assert contents['env_sub'] == str(envpath)
assert contents['src_sub'] == str(srcpath)
assert contents['manager'] == constants.MANAGER_NAME_CONDA
def test_project_name_exists(temporary_home):
"""Test the function checking for duplicate project names."""
project_name = 'test_project'
project_spec = {
'project_name': project_name,
'project_path': '',
'aiida': '',
'python': '',
'env_sub': '',
'src_sub': '',
'manager': '',
}
# save and check that the project is there
utils.save_project_spec(project_spec)
loaded_contents = utils.load_project_spec()
assert project_name in loaded_contents.keys()
result = utils.project_name_exists('test_project')
assert result is True
result = utils.project_name_exists('test_project_new')
assert result is False
def project_spec_file(temporary_home):
home = pathlib.Path.home()
venv_env = {
'project_name': 'virtualenv_project',
'project_path': str(home / 'virtualenv_project'),
'aiida': '1.0.0',
'python': '3.6',
'env_sub': str(home / 'virtualenv_project' / 'env'),
'src_sub': str(home / 'virtualenv_project' / 'src'),
'manager': constants.MANAGER_NAME_VENV,
}
conda_env = {
'project_name': 'conda_project',
'project_path': str(home / 'conda_project'),
'aiida': '1.0.0',
'python': '3.6',
'env_sub': str(home / 'conda_project' / 'env'),
'src_sub': str(home / 'conda_project' / 'src'),
'manager': constants.MANAGER_NAME_CONDA,
}
utils.save_project_spec(venv_env)
utils.save_project_spec(conda_env)
yield utils.load_project_spec()