def test_fireworks_server_example():
"""Make sure the Fireworks example works as intended"""
testing.check_active_mongo_server()
kwargs = {"dump_stdout": True}
with testing.preserve_cwd():
os.chdir(os.path.join(_pwd, "fireworks_dataset"))
server_args = [
"qcfractal-server", "qca_fw_testing", "--fireworks-manager"
]
with testing.popen(server_args, **kwargs) as server:
time.sleep(5) # Boot up server
assert testing.run_process(["python", "build_database.py"],
**kwargs)
assert testing.run_process(["python", "compute_database.py"],
**kwargs)
time.sleep(3) # Ensure tasks are pushed to QueueManager
assert testing.run_process(
["rlaunch", "-l", "fw_lpad.yaml", "rapidfire"], **kwargs)
time.sleep(3) # Ensure all tasks are gathered
assert testing.run_process(["python", "query_database.py"],
**kwargs)
def test_cli_user_modify(qcfractal_base_init):
args = [
"qcfractal-server", "user", qcfractal_base_init, "add",
"test_user_modify", "--permissions", "read"
]
assert testing.run_process(args, **_options)
args = [
"qcfractal-server", "user", qcfractal_base_init, "modify",
"test_user_modify", "--permissions", "read", "write",
"--reset-password"
]
assert testing.run_process(args, **_options)
args = [
"qcfractal-server", "user", qcfractal_base_init, "modify",
"test_user_modify", "--password", "foopass"
]
assert testing.run_process(args, **_options)
args = [
"qcfractal-server", "user", qcfractal_base_init, "modify",
"test_user_modify", "--permissions", "read"
]
assert testing.run_process(args, **_options)
args = [
"qcfractal-server", "user", qcfractal_base_init, "modify",
"badname_1234"
]
assert testing.run_process(args, **_options) is False
def test_cli_user_remove(qcfractal_base_init):
args = ["qcfractal-server", "user", qcfractal_base_init, "add", "test_user_remove", "--permissions", "admin"]
assert testing.run_process(args, **_options)
args = ["qcfractal-server", "user", qcfractal_base_init, "remove", "test_user_remove"]
assert testing.run_process(args, **_options)
args = ["qcfractal-server", "user", qcfractal_base_init, "remove", "badname_1234"]
assert testing.run_process(args, **_options) is False
def test_cli_user_add(qcfractal_base_init):
args = ["qcfractal-server", "user", qcfractal_base_init, "add", "test_user_add_1", "--permissions", "admin"]
assert testing.run_process(args, **_options)
args = ["qcfractal-server", "user", qcfractal_base_init, "add", "test_user_add_1", "--permissions", "admin"]
assert testing.run_process(args, **_options) is False
args = ["qcfractal-server", "user", qcfractal_base_init, "add", "test_user_add_2", "--password", "foo",
"--permissions", "admin"]
assert testing.run_process(args, **_options)
args = ["qcfractal-server", "user", qcfractal_base_init, "add", "test_user_add_3"]
assert testing.run_process(args, **_options) is False
def test_with_api_logging(postgres_server, log_apis):
tmpdir = tempfile.TemporaryDirectory()
args = [
"qcfractal-server", "init", "--base-folder",
str(tmpdir.name), "--db-own=False", "--clear-database",
f"--db-port={postgres_server.config.database.port}",
f"--log-apis={log_apis}"
]
assert testing.run_process(args, **_options)
port = "--port=" + str(testing.find_open_port())
args = ["qcfractal-server", "start", f"--base-folder={tmpdir.name}", port]
assert testing.run_process(args, interupt_after=10, **_options)
def test_manager_fireworks_config_boot(active_server):
config_path = os.path.join(_pwd, "fw_config_boot.yaml")
args = [
"qcfractal-manager", active_server.test_uri_cli, "--rapidfire",
"--config-file=" + config_path, "fireworks"
]
assert testing.run_process(args, **_options)
def test_cli_server_local_boot(qcfractal_base_init):
port = "--port=" + str(testing.find_open_port())
args = [
"qcfractal-server", "start", "--local-manager=1", port,
qcfractal_base_init
]
assert testing.run_process(args, interupt_after=10, **_options)
def test_cli_template_generator(adapter, scheduler, tmp_path):
if adapter == "parsl" and scheduler == "lsf":
pytest.xfail("Parsl has no LSF implementation")
tmpl_path = tmp_path / "tmp_template.py"
args = [
"qcfractal-template", adapter, scheduler, "--test", "-o",
str(tmpl_path)
]
testing.run_process(args)
with open(tmpl_path, 'r') as handle:
data = handle.read()
# Will throw a syntax error if incorrect
c = ast.parse(data)
def test_cli_server_boot(qcfractal_base_init):
port = "--port=" + str(testing.find_open_port())
args = [
"qcfractal-server", "start", qcfractal_base_init,
"--database-name=test_cli_db", port
]
assert testing.run_process(args, interupt_after=10, **_options)
def test_local_server_example():
"""Make sure the Fireworks example works as intended"""
testing.check_active_mongo_server()
kwargs = {"dump_stdout": True}
with testing.preserve_cwd():
os.chdir(os.path.join(_pwd, "local_dataset"))
server_args = ["qcfractal-server", "qca_local_testing", "--local-manager"]
with testing.popen(server_args, **kwargs) as server:
time.sleep(5) # Boot up server
assert testing.run_process(["python", "build_database.py"], **kwargs)
assert testing.run_process(["python", "compute_database.py"], **kwargs)
assert wait_true(40, testing.run_process, ["python", "query_database.py"], **kwargs)
def active_server(request, qcfractal_base_init):
port = str(testing.find_open_port())
args = ["qcfractal-server", "start", qcfractal_base_init, f"--port={port}"]
assert testing.run_process(args, interupt_after=10, **_options)
with testing.popen(args, **_options) as server:
time.sleep(2)
server.test_uri_cli = "--fractal-uri=localhost:" + port
yield server
def qcfractal_base_init(postgres_server):
tmpdir = tempfile.TemporaryDirectory()
args = [
"qcfractal-server", "init", "--base-folder",
str(tmpdir.name), "--db-own=False", "--clear-database",
f"--db-port={postgres_server.config.database.port}"
]
assert testing.run_process(args, **_options)
yield f"--base-folder={tmpdir.name}"
def test_manager_executor_manager_boot_from_file(active_server, tmp_path):
yaml_file = """
common:
adapter: pool
tasks_per_worker: 4
cores_per_worker: 4
server:
fractal_uri: {}
verify: False
""".format(active_server.test_uri_cli.split("=")[1])
p = tmp_path / "config.yaml"
p.write_text(yaml_file)
args = ["qcfractal-manager", "--config-file={}".format(p)]
assert testing.run_process(args, interupt_after=7, **_options)
def test_parsl_server_example():
"""Make sure the Parsl example works as intended"""
testing.check_active_mongo_server()
kwargs = {"dump_stdout": True}
with testing.preserve_cwd():
os.chdir(os.path.join(_pwd, "parsl_torsiondrive"))
server_args = ["qcfractal-server", "qca_parsl_testing"]
with testing.popen(server_args, **kwargs) as server:
time.sleep(5) # Boot up server
manager_args = ["python", "parsl_manager.py"]
with testing.popen(manager_args, **kwargs) as manager:
assert testing.run_process(["python", "compute_torsion.py"],
**kwargs)
assert wait_true(40, testing.run_process,
["python", "query_torsion.py"], **kwargs)
def test_cli_server_boot():
port = "--port=" + str(testing.find_open_port())
assert testing.run_process(["qcfractal-server", "mydb", port],
interupt_after=10,
**_options)
def test_cli_upgrade(qcfractal_base_init):
args = ["qcfractal-server", "upgrade", qcfractal_base_init]
assert testing.run_process(args, interupt_after=10, **_options)
def test_cli_managers_skel(tmp_path):
"""Test that qcfractal_manager --skeleton works"""
config = tmp_path / "config.yaml"
args = ["qcfractal-manager", "--skel", config.as_posix()]
testing.run_process(args, **_options)
def test_cli_managers_schema():
"""Test that qcfractal_manager --schema works"""
args = ["qcfractal-manager", "--schema"]
testing.run_process(args, **_options)
def test_cli_managers_help():
"""Test that qcfractal_manager --help works"""
args = ["qcfractal-manager", "--help"]
testing.run_process(args, **_options)
def cli_manager_runs(config_data, tmp_path):
temp_config = tmp_path / "temp_config.yaml"
temp_config.write_text(yaml.dump(config_data))
args = ["qcfractal-manager", f"--config-file={temp_config}", "--test"]
assert testing.run_process(args, **_options)
def test_manager_executor_manager_boot(active_server):
args = [
"qcfractal-manager", active_server.test_uri_cli, "--adapter=pool", "--tasks-per-worker=2", "--verify=False"
]
assert testing.run_process(args, interupt_after=7, **_options)
def test_manager_local_testing_process():
assert testing.run_process(["qcfractal-manager", "--adapter=pool", "--test", "--tasks-per-worker=2"], **_options)
def test_cli_server_dask_boot():
port = "--port=" + str(testing.find_open_port())
args = ["qcfractal-server", "mydb", "--dask-manager-single", port]
assert testing.run_process(args, interupt_after=10, **_options)
def test_manager_dask_manager_local_boot(active_server):
args = [
"qcfractal-manager", active_server.test_uri_cli, "dask",
"--local-cluster", "--local-workers=1"
]
assert testing.run_process(args, interupt_after=7, **_options)
def test_manager_fireworks_boot(active_server):
args = ["qcfractal-manager", active_server.test_uri_cli, "fireworks"]
assert testing.run_process(args, interupt_after=5, **_options)