Merge branch 'master' into pre-commit-ci-update-config

.github/workflows/lint.yml

@@ -9,7 +9,7 @@ jobs:
       - uses: actions/checkout@v4
 
       - name: Set up Python
-        uses: actions/setup-python@v4
+        uses: actions/setup-python@v5
         with:
           python-version: "3.x"
 

.github/workflows/test.yml

@@ -5,10 +5,11 @@ on: [push, pull_request, workflow_call]
 jobs:
   build:
     strategy:
+      fail-fast: false
       max-parallel: 20
       matrix:
         os: [ubuntu-latest, macos-14, windows-latest]
-        python-version: ["3.9", "3.x"]
+        python-version: ["3.9", "3.12"]
 
     runs-on: ${{ matrix.os }}
 

.pre-commit-config.yaml

@@ -32,7 +32,7 @@ repos:
     rev: v2.3.0
     hooks:
       - id: codespell
-        stages: [Nonepre-commitNone, commit-msg]
+        stages: [pre-commit, commit-msg]
         exclude_types: [html]
         additional_dependencies: [tomli] # needed to read pyproject.toml below py3.11
 

docs/Gemfile.lock

@@ -224,7 +224,7 @@ GEM
     rb-fsevent (0.11.2)
     rb-inotify (0.10.1)
       ffi (~> 1.0)
-    rexml (3.3.2)
+    rexml (3.3.6)
       strscan
     rouge (3.26.0)
     ruby2_keywords (0.0.5)
@@ -251,7 +251,7 @@ GEM
       unf_ext
     unf_ext (0.0.8.2)
     unicode-display_width (1.8.0)
-    webrick (1.8.1)
+    webrick (1.8.2)
 
 PLATFORMS
   arm64-darwin-22

pyproject.toml

@@ -19,35 +19,41 @@ classifiers = [
     "Topic :: Software Development :: Libraries :: Python Modules",
 ]
 dependencies = [
-
+  "ruamel.yaml",
+  "numpy<2.0.0",
 ]
 version = "2024.7.30"
 
 [project.optional-dependencies]
 ci = [
-    "pytest>=8",
-    "pytest-cov>=4",
-    "coverage",
-    "numpy<2.0.0",
-    "ruamel.yaml",
-    "msgpack",
-    "tqdm",
-    "pymongo",
-    "pandas",
-    "pint",
-    "orjson",
-    "types-orjson",
-    "types-requests",
-    "torch"
+  "coverage",
+  "monty[optional]",
+  "pytest>=8",
+  "pytest-cov>=4",
+  "types-requests",
 ]
+# dev is for "dev" module, not for development
+dev = ["ipython"]
 docs = [
     "sphinx",
     "sphinx_rtd_theme",
 ]
+json = [
+  "bson",
+  "orjson>=3.6.1",
+  "pandas",
+  "pydantic",
+  "pint",
+  "torch",
+]
+multiprocessing = ["tqdm"]
+optional = ["monty[dev,json,multiprocessing,serialization]"]
+serialization = ["msgpack"]
+task = ["requests", "invoke"]
 
 [tool.setuptools.packages.find]
 where = ["src"]
-include = ["monty"]
+include = ["monty", "monty.*"]
 
 [tool.black]
 line-length = 120
@@ -101,3 +107,4 @@ lint.select = [
 ]
 
 lint.isort.required-imports = ["from __future__ import annotations"]
+lint.isort.known-first-party = ["monty"]

src/monty/dev.py

@@ -231,9 +231,8 @@ def install_excepthook(hook_type: str = "color", **kwargs) -> int:
     """
     try:
         from IPython.core import ultratb  # pylint: disable=import-outside-toplevel
-    except ImportError:
-        warnings.warn("Cannot install excepthook, IPyhon.core.ultratb not available")
-        return 1
+    except ImportError as exc:
+        raise ImportError("Cannot install excepthook, IPython not installed") from exc
 
     # Select the hook.
     hook = dict(

src/monty/io.py

@@ -9,11 +9,7 @@
 import errno
 import gzip
 import io
-
-try:
-    import lzma
-except ImportError:
-    lzma = None  # type: ignore[assignment]
+import lzma
 import mmap
 import os
 import subprocess
@@ -49,7 +45,7 @@ def zopen(filename: Union[str, Path], *args, **kwargs) -> IO:
         return bz2.open(filename, *args, **kwargs)
     if ext in {".GZ", ".Z"}:
         return gzip.open(filename, *args, **kwargs)
-    if lzma is not None and ext in {".XZ", ".LZMA"}:
+    if ext in {".XZ", ".LZMA"}:
         return lzma.open(filename, *args, **kwargs)
     return open(filename, *args, **kwargs)
 

src/monty/itertools.py

@@ -7,10 +7,7 @@
 import itertools
 from typing import TYPE_CHECKING
 
-try:
-    import numpy as np
-except ImportError:
-    np = None
+import numpy as np
 
 if TYPE_CHECKING:
     from typing import Iterable