Merge pull request #284 from pyiron/type_hints

Add type hints

Author: jan-janssen

.github/workflows/unittest-mpich.yml

@@ -40,11 +40,6 @@ jobs:
           label: linux-64-py-3-9-mpich
           prefix: /usr/share/miniconda3/envs/my-env
 
-        - operating-system: ubuntu-latest
-          python-version: 3.8
-          label: linux-64-py-3-8-mpich
-          prefix: /usr/share/miniconda3/envs/my-env
-
     steps:
     - uses: actions/checkout@v2
     - uses: conda-incubator/setup-miniconda@v2.2.0

.github/workflows/unittest-openmpi.yml

@@ -40,11 +40,6 @@ jobs:
           label: linux-64-py-3-9-openmpi
           prefix: /usr/share/miniconda3/envs/my-env
 
-        - operating-system: ubuntu-latest
-          python-version: 3.8
-          label: linux-64-py-3-8-openmpi
-          prefix: /usr/share/miniconda3/envs/my-env
-
     steps:
     - uses: actions/checkout@v2
     - uses: conda-incubator/setup-miniconda@v2.2.0

pympipool/__init__.py

@@ -1,5 +1,6 @@
 import os
 import shutil
+from typing import Optional
 from ._version import get_versions
 from pympipool.mpi.executor import PyMPIExecutor
 from pympipool.shared.interface import SLURM_COMMAND
@@ -69,30 +70,30 @@ class Executor:
 
     def __init__(
         self,
-        max_workers=1,
-        cores_per_worker=1,
-        threads_per_core=1,
-        gpus_per_worker=0,
-        oversubscribe=False,
-        init_function=None,
-        cwd=None,
+        max_workers: int = 1,
+        cores_per_worker: int = 1,
+        threads_per_core: int = 1,
+        gpus_per_worker: int = 0,
+        oversubscribe: bool = False,
+        init_function: Optional[callable] = None,
+        cwd: Optional[str] = None,
         executor=None,
-        hostname_localhost=False,
+        hostname_localhost: bool = False,
     ):
         # Use __new__() instead of __init__(). This function is only implemented to enable auto-completion.
         pass
 
     def __new__(
         cls,
-        max_workers=1,
-        cores_per_worker=1,
-        threads_per_core=1,
-        gpus_per_worker=0,
-        oversubscribe=False,
-        init_function=None,
-        cwd=None,
+        max_workers: int = 1,
+        cores_per_worker: int = 1,
+        threads_per_core: int = 1,
+        gpus_per_worker: int = 0,
+        oversubscribe: bool = False,
+        init_function: Optional[callable] = None,
+        cwd: Optional[str] = None,
         executor=None,
-        hostname_localhost=False,
+        hostname_localhost: bool = False,
     ):
         """
         Instead of returning a pympipool.Executor object this function returns either a pympipool.mpi.PyMPIExecutor,

pympipool/backend/serial.py

@@ -1,5 +1,6 @@
 from os.path import abspath
 import sys
+from typing import Optional
 
 from pympipool.shared.communication import (
     interface_connect,
@@ -10,7 +11,7 @@
 from pympipool.shared.backend import call_funct, parse_arguments
 
 
-def main(argument_lst=None):
+def main(argument_lst: Optional[list[str]] = None):
     if argument_lst is None:
         argument_lst = sys.argv
     argument_dict = parse_arguments(argument_lst=argument_lst)

pympipool/flux/executor.py

@@ -1,4 +1,5 @@
 import os
+from typing import Optional
 
 import flux.job
 
@@ -56,14 +57,14 @@ class PyFluxExecutor(ExecutorBroker):
 
     def __init__(
         self,
-        max_workers=1,
-        cores_per_worker=1,
-        threads_per_core=1,
-        gpus_per_worker=0,
-        init_function=None,
-        cwd=None,
-        executor=None,
-        hostname_localhost=False,
+        max_workers: int = 1,
+        cores_per_worker: int = 1,
+        threads_per_core: int = 1,
+        gpus_per_worker: int = 0,
+        init_function: Optional[callable] = None,
+        cwd: Optional[str] = None,
+        executor: Optional[flux.job.FluxExecutor] = None,
+        hostname_localhost: Optional[bool] = False,
     ):
         super().__init__()
         self._set_process(
@@ -92,12 +93,12 @@ def __init__(
 class FluxPythonInterface(BaseInterface):
     def __init__(
         self,
-        cwd=None,
-        cores=1,
-        threads_per_core=1,
-        gpus_per_core=0,
-        oversubscribe=False,
-        executor=None,
+        cwd: Optional[str] = None,
+        cores: int = 1,
+        threads_per_core: int = 1,
+        gpus_per_core: int = 0,
+        oversubscribe: bool = False,
+        executor: Optional[flux.job.FluxExecutor] = None,
     ):
         super().__init__(
             cwd=cwd,
@@ -109,7 +110,7 @@ def __init__(
         self._executor = executor
         self._future = None
 
-    def bootup(self, command_lst):
+    def bootup(self, command_lst: list[str]):
         if self._oversubscribe:
             raise ValueError(
                 "Oversubscribing is currently not supported for the Flux adapter."
@@ -129,7 +130,7 @@ def bootup(self, command_lst):
             jobspec.cwd = self._cwd
         self._future = self._executor.submit(jobspec)
 
-    def shutdown(self, wait=True):
+    def shutdown(self, wait: bool = True):
         if self.poll():
             self._future.cancel()
         # The flux future objects are not instantly updated,

pympipool/mpi/executor.py

@@ -1,3 +1,5 @@
+from typing import Optional
+
 from pympipool.shared.executorbase import (
     execute_parallel_tasks,
     ExecutorBroker,
@@ -51,12 +53,12 @@ class PyMPIExecutor(ExecutorBroker):
 
     def __init__(
         self,
-        max_workers=1,
-        cores_per_worker=1,
-        oversubscribe=False,
-        init_function=None,
-        cwd=None,
-        hostname_localhost=False,
+        max_workers: int = 1,
+        cores_per_worker: int = 1,
+        oversubscribe: bool = False,
+        init_function: Optional[callable] = None,
+        cwd: Optional[str] = None,
+        hostname_localhost: bool = False,
     ):
         super().__init__()
         self._set_process(

pympipool/shared/backend.py

@@ -1,7 +1,10 @@
+from typing import Optional
 import inspect
 
 
-def call_funct(input_dict, funct=None, memory=None):
+def call_funct(
+    input_dict: dict, funct: Optional[callable] = None, memory: Optional[dict] = None
+) -> callable:
     """
     Call function from dictionary
 
@@ -30,7 +33,7 @@ def funct(*args, **kwargs):
     return funct(input_dict["fn"], *input_dict["args"], **input_dict["kwargs"])
 
 
-def parse_arguments(argument_lst):
+def parse_arguments(argument_lst: list[str]) -> dict:
     """
     Simple function to parse command line arguments
 
@@ -50,7 +53,9 @@ def parse_arguments(argument_lst):
     )
 
 
-def update_default_dict_from_arguments(argument_lst, argument_dict, default_dict):
+def update_default_dict_from_arguments(
+    argument_lst: list[str], argument_dict: dict, default_dict: dict
+) -> dict:
     default_dict.update(
         {
             k: argument_lst[argument_lst.index(v) + 1]
@@ -61,7 +66,9 @@ def update_default_dict_from_arguments(argument_lst, argument_dict, default_dict
     return default_dict
 
 
-def _update_dict_delta(dict_input, dict_output, keys_possible_lst):
+def _update_dict_delta(
+    dict_input: dict, dict_output: dict, keys_possible_lst: list
+) -> dict:
     return {
         k: v
         for k, v in dict_input.items()

pympipool/shared/communication.py

@@ -18,7 +18,7 @@ def __init__(self, interface=None):
         self._process = None
         self._interface = interface
 
-    def send_dict(self, input_dict):
+    def send_dict(self, input_dict: dict):
         """
         Send a dictionary with instructions to a connected client process.
 
@@ -42,7 +42,7 @@ def receive_dict(self):
             error_type = output["error_type"].split("'")[1]
             raise eval(error_type)(output["error"])
 
-    def send_and_receive_dict(self, input_dict):
+    def send_and_receive_dict(self, input_dict: dict) -> dict:
         """
         Combine both the send_dict() and receive_dict() function in a single call.
 
@@ -66,7 +66,7 @@ def bind_to_random_port(self):
         """
         return self._socket.bind_to_random_port("tcp://*")
 
-    def bootup(self, command_lst):
+    def bootup(self, command_lst: list[str]):
         """
         Boot up the client process to connect to the SocketInterface.
 
@@ -75,7 +75,7 @@ def bootup(self, command_lst):
         """
         self._interface.bootup(command_lst=command_lst)
 
-    def shutdown(self, wait=True):
+    def shutdown(self, wait: bool = True):
         result = None
         if self._interface.poll():
             result = self.send_and_receive_dict(
@@ -96,9 +96,9 @@ def __del__(self):
 
 
 def interface_bootup(
-    command_lst,
+    command_lst: list[str],
     connections,
-    hostname_localhost=False,
+    hostname_localhost: bool = False,
 ):
     """
     Start interface for ZMQ communication
@@ -132,7 +132,7 @@ def interface_bootup(
     return interface
 
 
-def interface_connect(host, port):
+def interface_connect(host: str, port: str):
     """
     Connect to an existing SocketInterface instance by providing the hostname and the port as strings.
 
@@ -146,7 +146,7 @@ def interface_connect(host, port):
     return context, socket
 
 
-def interface_send(socket, result_dict):
+def interface_send(socket: zmq.Socket, result_dict: dict):
     """
     Send results to a SocketInterface instance.
 
@@ -157,7 +157,7 @@ def interface_send(socket, result_dict):
     socket.send(cloudpickle.dumps(result_dict))
 
 
-def interface_receive(socket):
+def interface_receive(socket: zmq.Socket):
     """
     Receive instructions from a SocketInterface instance.
 
@@ -167,7 +167,7 @@ def interface_receive(socket):
     return cloudpickle.loads(socket.recv())
 
 
-def interface_shutdown(socket, context):
+def interface_shutdown(socket: zmq.Socket, context: zmq.Context):
     """
     Close the connection to a SocketInterface instance.