Project configuration updates (#353)

* Project configuration updates

* Update

Author: mattwthompson

.pre-commit-config.yaml

@@ -14,7 +14,7 @@ repos:
   - id: black-jupyter
     files: ^examples
 - repo: https://github.com/PyCQA/isort
-  rev: 6.1.0
+  rev: 7.0.0
   hooks:
   - id: isort
     files: ^openff
@@ -32,3 +32,7 @@ repos:
     - id: nbqa-flake8
       args:
         - '--select=F'
+- repo: https://github.com/tox-dev/pyproject-fmt
+  rev: v2.11.0
+  hooks:
+    - id: pyproject-fmt

pyproject.toml

@@ -1,44 +1,33 @@
 [build-system]
+build-backend = "setuptools.build_meta"
 requires = [
-    "setuptools",
-    "versioningit",
+  "setuptools>=77.0.3",
+  "versioningit",
 ]
-build-backend = "setuptools.build_meta"
 
 [project]
-name="openff-qcsubmit"
+name = "openff-qcsubmit"
 description = "qcsubmit"
 readme = "README.md"
-authors = [{name = "Open Force Field Consortium", email = "[email protected]"}]
-license = {text = "MIT"}
-dynamic = ["version"]
+license = "MIT"
+license-files = [ "LICENSE" ]
+authors = [ { name = "Open Force Field Consortium", email = "[email protected]" } ]
+requires-python = ">=3.11"
+classifiers = [
+  "Programming Language :: Python :: 3 :: Only",
+  "Programming Language :: Python :: 3.11",
+  "Programming Language :: Python :: 3.12",
+  "Programming Language :: Python :: 3.13",
+  "Programming Language :: Python :: 3.14",
+]
+dynamic = [ "version" ]
 
 [tool.setuptools.packages]
 find = {}
 
-[tool.versioningit]
-
-[tool.pytest.ini_options]
-filterwarnings = [
-    "ignore::DeprecationWarning",
-    "ignore::PendingDeprecationWarning",
-]
-
-[tool.coverage.run]
-omit = [
-    "*/*/_tests/*",
-]
-
-[tool.coverage.report]
-exclude_lines = [
-    "pragma: no cover",
-    "if TYPE_CHECKING:",
-    "raise NotImplementedError",
-]
-
 [tool.black]
 line-length = 88
-target-version = ['py310']
+target-version = [ 'py311' ]
 exclude = '''
 
 (
@@ -65,3 +54,23 @@ include_trailing_comma = true
 force_grid_wrap = 0
 use_parentheses = true
 line_length = 88
+
+[tool.pytest.ini_options]
+filterwarnings = [
+  "ignore::DeprecationWarning",
+  "ignore::PendingDeprecationWarning",
+]
+
+[tool.coverage.run]
+omit = [
+  "*/*/_tests/*",
+]
+
+[tool.coverage.report]
+exclude_lines = [
+  "pragma: no cover",
+  "if TYPE_CHECKING:",
+  "raise NotImplementedError",
+]
+
+[tool.versioningit]