synkit 1.1.1__tar.gz → 1.2__tar.gz

{synkit-1.1.1 → synkit-1.2}/.gitignore

@@ -23,4 +23,5 @@ Data/Fragment/*
 test_partial.py
 Data/Benchmark/synthesis/*
 Data/USPTO/*
-crn/*
+crn/*
+test_run.py

{synkit-1.1.1 → synkit-1.2}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: synkit
-Version: 1.1.1
+Version: 1.2
 Summary: Utility for reaction modeling using graph grammar
 Project-URL: homepage, https://github.com/TieuLongPhan/SynKit
 Project-URL: source, https://github.com/TieuLongPhan/SynKit
@@ -22,9 +22,16 @@ Requires-Dist: scikit-learn>=1.4.0
 Requires-Dist: seaborn>=0.13.2
 Provides-Extra: all
 Requires-Dist: numpy>=2.2.0; extra == 'all'
+Requires-Dist: sympy>=1.13.1; extra == 'all'
 Requires-Dist: torch>=2.2.0; extra == 'all'
 Provides-Extra: docs
+Requires-Dist: graphviz; extra == 'docs'
+Requires-Dist: myst-parser; extra == 'docs'
+Requires-Dist: pydata-sphinx-theme; extra == 'docs'
+Requires-Dist: sphinx-copybutton; extra == 'docs'
+Requires-Dist: sphinx-design; extra == 'docs'
 Requires-Dist: sphinx-rtd-theme; extra == 'docs'
+Requires-Dist: sphinx-togglebutton; extra == 'docs'
 Requires-Dist: sphinx>=6.0; extra == 'docs'
 Requires-Dist: sphinxcontrib-bibtex; extra == 'docs'
 Description-Content-Type: text/markdown

{synkit-1.1.1 → synkit-1.2}/pyproject.toml

@@ -4,7 +4,7 @@ build-backend = "hatchling.build"
 
 [project]
 name = "synkit"
-version = "1.1.1"
+version = "1.2"
 description = "Utility for reaction modeling using graph grammar"
 readme = "README.md"
 long-description = { file = "CHANGELOG.md" }
@@ -31,13 +31,31 @@ dependencies = [
 ]
 
 [project.optional-dependencies]
-all = ["numpy>=2.2.0", "torch>=2.2.0"]
+all = ["numpy>=2.2.0", "torch>=2.2.0", "sympy>=1.13.1"]
 docs = [
+  # Core Sphinx
   "sphinx>=6.0",
+
+  # Theme (primary) + fallback
+  "pydata-sphinx-theme",
   "sphinx-rtd-theme",
+
+  # Your enabled extensions
   "sphinxcontrib-bibtex",
+  "sphinx-design",
+  "sphinx-copybutton",
+  "sphinx-togglebutton",
+
+  # Graphviz extension uses the `graphviz` Python package
+  # (still requires the system `dot` binary to render diagrams)
+  "graphviz",
+
+  # Nice-to-have for markdown in docs if you ever add .md pages
+  # (safe even if unused)
+  "myst-parser",
 ]
 
+
 [project.urls]
 homepage      = "https://github.com/TieuLongPhan/SynKit"
 source        = "https://github.com/TieuLongPhan/SynKit"