Python update

.github/workflows/pull_request.yaml

@@ -12,9 +12,8 @@ jobs:
  strategy:
  matrix:
  #os: [ubuntu-latest, macos-latest]
- python-version: ["3.8", "3.9", "3.10"]
+ python-version: ["3.8", "3.9", "3.10", "3.11", "3.12"]
  os: [ ubuntu-latest, macos-latest, windows-latest]
-# # python: [ "3.7", "3.8", "3.9", "3.10", '3.11'] TODO: add more python versions
 
  steps:
  - uses: actions/checkout@v3

docs/source/conf.py

@@ -17,9 +17,9 @@
 
 # -- Project information -----------------------------------------------------
 
-project = 'Symmer'
-copyright = '2023, Alexis Ralli, Tim Weaving'
-author = 'Alexis Ralli, Tim Weaving'
+project = "Symmer"
+copyright = "2023, Alexis Ralli, Tim Weaving"
+author = "Alexis Ralli, Tim Weaving"
 
 
 # -- General configuration ---------------------------------------------------
@@ -28,14 +28,14 @@
 # extensions coming with Sphinx (named 'sphinx.ext.*') or your custom
 # ones.
 extensions = [
- 'sphinx.ext.intersphinx',
- 'sphinx.ext.extlinks',
- 'sphinx.ext.napoleon',
- 'sphinx.ext.linkcode',
- 'myst_nb',
+ "sphinx.ext.intersphinx",
+ "sphinx.ext.extlinks",
+ "sphinx.ext.napoleon",
+ "sphinx.ext.linkcode",
+ "myst_nb",
  "sphinx_design",
- 'sphinx_copybutton'
-# 'autoapi.extension',
+ "sphinx_copybutton"
+ # 'autoapi.extension',
 ]
 
 # msyt_nb configuration
@@ -50,7 +50,7 @@
 ]
 
 # Add any paths that contain templates here, relative to this directory.
-templates_path = ['_templates']
+templates_path = ["_templates"]
 
 # List of patterns, relative to source directory, that match files and
 # directories to ignore when looking for source files.
@@ -63,17 +63,18 @@
 # The theme to use for HTML and HTML Help pages. See the documentation for
 # a list of builtin themes.
 #
-html_theme = 'alabaster'
+html_theme = "alabaster"
 
 # Add any paths that contain custom static files (such as style sheets) here,
 # relative to this directory. They are copied after the builtin static files,
 # so a file named "default.css" will overwrite the builtin "default.css".
-html_static_path = ['_static']
+html_static_path = ["_static"]
+
 
 def linkcode_resolve(domain, info):
- if domain != 'py':
+ if domain != "py":
  return None
- if not info['module']:
+ if not info["module"]:
  return None
- filename = info['module'].replace('.', '/')
+ filename = info["module"].replace(".", "/")
  return "https://somesite/sourcerepo/%s.py" % filename

pyproject.toml

@@ -6,28 +6,30 @@ authors = ["AlexisRalli <rallilex@hotmail.co.uk>", "TimWeaving <weaving.timothy@
 license = "MIT"
 
 [tool.poetry.dependencies]
-python = ">=3.8 <3.11"
+python = ">=3.8, <3.11"
 openfermion = "^1.3.0"
 cached-property = "^1.5.2"
-qiskit = "^0.44.0"
-pydocstyle = "^6.1.1"
-isort = "^5.10.1"
-black = "^22.1.0"
-flake8 = "^4.0.1"
 py3Dmol = "^1.8.0"
 ncon = "^1.0.0"
 opt-einsum = "^3.3.0"
 qubovert = "^1.2.5"
-pytest = "^7.2.2"
-numba = "0.56"
+numba = "^0.57"
 quimb = "^1.5.1"
 ray = "^2.6.3"
-sphinx-design = "^0.5.0"
 myst-nb = "^0.17.2"
-sphinx-copybutton = "^0.5.2"
 ipywidgets = "^8.1.0"
+qiskit = "^0.44.2"
+rustworkx = "<0.13.2"
 
-[tool.poetry.dev-dependencies]
+[tool.poetry.group.dev.dependencies]
+pytest = "^7.2.2"
+pydocstyle = "^6.1.1"
+flake8 = "^4.0.1" 
+sphinx-copybutton = "^0.5.2"
+sphinx-design = "^0.5.0"
+isort = "^5.10.1"
+black = "^22.1.0"
+poetry = "^1.6.1"
 
 [build-system]
 requires = ["poetry-core>=1.0.0"]

symmer/__init__.py

@@ -1,3 +1,3 @@
 """Main init for package."""
-from symmer.operators  import PauliwordOp, QuantumState
-from symmer.projection import QubitTapering, ContextualSubspace, QubitSubspaceManager
+from symmer.operators import PauliwordOp, QuantumState
+from symmer.projection import QubitTapering, ContextualSubspace, QubitSubspaceManager