update libcasm-global dependency 2.0.4; libcasm-xtal dependency 2.0a9…

…; docs favicons

.github/workflows/test-linux-build.yml

@@ -32,15 +32,15 @@ jobs:
         uses: actions/cache/restore@v4
         with:
           path: CASMcode_global/dist
-          key: ${{ runner.os }}-libcasm-global-v2-0-3
+          key: ${{ runner.os }}-libcasm-global-v2-0-4
 
       ### libcasm-xtal ###
       - name: restore libcasm-xtal cache
         id: cache-libcasm-xtal-restore
         uses: actions/cache/restore@v4
         with:
           path: CASMcode_crystallography/dist
-          key: ${{ runner.os }}-libcasm-xtal-v2-0a8
+          key: ${{ runner.os }}-libcasm-xtal-v2-0a9
 
       - name: Install CASM dependencies
         run: |

.github/workflows/test-linux-cxx-only.yml

@@ -32,15 +32,15 @@ jobs:
         uses: actions/cache/restore@v4
         with:
           path: CASMcode_global/dist
-          key: ${{ runner.os }}-libcasm-global-v2-0-3
+          key: ${{ runner.os }}-libcasm-global-v2-0-4
 
       ### libcasm-xtal ###
       - name: restore libcasm-xtal cache
         id: cache-libcasm-xtal-restore
         uses: actions/cache/restore@v4
         with:
           path: CASMcode_crystallography/dist
-          key: ${{ runner.os }}-libcasm-xtal-v2-0a8
+          key: ${{ runner.os }}-libcasm-xtal-v2-0a9
 
       - name: Install CASM dependencies
         run: |

.github/workflows/test-linux-dependencies.yml

@@ -24,15 +24,15 @@ jobs:
         uses: actions/cache/restore@v4
         with:
           path: CASMcode_global/dist
-          key: ${{ runner.os }}-libcasm-global-v2-0-3
+          key: ${{ runner.os }}-libcasm-global-v2-0-4
 
       - name: checkout libcasm-global
         if: steps.cache-libcasm-global-restore.outputs.cache-hit != 'true'
         uses: actions/checkout@v4
         with:
           repository: prisms-center/CASMcode_global
           path: CASMcode_global
-          ref: v2.0.3
+          ref: v2.0.4
 
       - name: make global
         if: steps.cache-libcasm-global-restore.outputs.cache-hit != 'true'
@@ -58,15 +58,15 @@ jobs:
         uses: actions/cache/restore@v4
         with:
           path: CASMcode_crystallography/dist
-          key: ${{ runner.os }}-libcasm-xtal-v2-0a8
+          key: ${{ runner.os }}-libcasm-xtal-v2-0a9
 
       - name: checkout libcasm-xtal
         if: steps.cache-libcasm-xtal-restore.outputs.cache-hit != 'true'
         uses: actions/checkout@v4
         with:
           repository: prisms-center/CASMcode_crystallography
           path: CASMcode_crystallography
-          ref: v2.0a8
+          ref: v2.0a9
 
       - name: make xtal
         if: steps.cache-libcasm-xtal-restore.outputs.cache-hit != 'true'

.github/workflows/test-linux.yml

@@ -32,15 +32,15 @@ jobs:
         uses: actions/cache/restore@v4
         with:
           path: CASMcode_global/dist
-          key: ${{ runner.os }}-libcasm-global-v2-0-3
+          key: ${{ runner.os }}-libcasm-global-v2-0-4
 
       ### libcasm-xtal ###
       - name: restore libcasm-xtal cache
         id: cache-libcasm-xtal-restore
         uses: actions/cache/restore@v4
         with:
           path: CASMcode_crystallography/dist
-          key: ${{ runner.os }}-libcasm-xtal-v2-0a8
+          key: ${{ runner.os }}-libcasm-xtal-v2-0a9
 
       - name: Install CASM dependencies
         run: |

CHANGELOG.md

@@ -5,6 +5,18 @@ All notable changes to `libcasm-mapping` will be documented in this file.
 The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.1.0/),
 and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html).
 
+## [v2.0a3] - Unreleased
+
+### Added
+
+- Build wheels for python3.12
+
+### Changed
+
+- Updated libcasm-global dependency version to 2.0.4
+- Updated libcasm-xtal dependency version to 2.0a9 
+
+
 ## [v2.0a2] - 2023-12-01
 
 ### Fixed

build_requirements.txt

@@ -4,5 +4,5 @@ scikit-build
 cmake>=3.20
 ninja
 pybind11>=2.6
-libcasm-global>=2.0.2
-libcasm-xtal>=2.0a8
+libcasm-global>=2.0.4
+libcasm-xtal>=2.0a9

pyproject.toml

@@ -6,8 +6,8 @@ requires = [
     "cmake>=3.20",
     "ninja",
     "pybind11>=2.6",
-    "libcasm-global>=2.0.2",
-    "libcasm-xtal>=2.0a8",
+    "libcasm-global>=2.0.4",
+    "libcasm-xtal>=2.0a9",
 ]
 build-backend = "setuptools.build_meta"
 
@@ -29,8 +29,8 @@ classifiers = [
     "Topic :: Scientific/Engineering",
 ]
 dependencies = [
-  "libcasm-global>=2.0.2",
-  "libcasm-xtal>=2.0a8",
+  "libcasm-global>=2.0.4",
+  "libcasm-xtal>=2.0a9",
   "numpy",
 ]
 

python/doc/conf.py

@@ -1,3 +1,18 @@
+import os
+
+# -- package specific configuration --
+project = "libcasm-mapping"
+version = "2.0"  # The short X.Y version.
+release = "2.0a2"  # The full version, including alpha/beta/rc tags.
+project_desc = "CASM structure mapping"
+logo_text = "libcasm-mapping"
+github_url = "https://github.com/prisms-center/CASMcode_mapping/"
+pypi_url = "https://pypi.org/project/libcasm-mapping/"
+intersphinx_libcasm_packages = [("global", "2.0"), ("xtal", "2.0")]
+
+
+# -- CASM common configuration ---
+
 # -*- coding: utf-8 -*-
 #
 # CASM documentation build configuration file, created by
@@ -12,7 +27,6 @@
 # All configuration values have a default; values that are commented out
 # serve to show the default.
 
-import os
 
 # -- General configuration ------------------------------------------------
 
@@ -35,8 +49,7 @@
 
 # if LIBCASM_LOCAL_PYDOCS env variable is set, create local docs
 pydocs_path = os.environ.get("LIBCASM_LOCAL_PYDOCS", None)
-packages = [("global", "2.0"), ("xtal", "2.0")]
-for package, vers in packages:
+for package, vers in intersphinx_libcasm_packages:
     if pydocs_path is None:
         url = (
             f"https://prisms-center.github.io/CASMcode_pydocs/libcasm/{package}/{vers}/"
@@ -71,6 +84,7 @@
 # Napoleon settings
 napoleon_google_docstring = False
 napoleon_numpy_docstring = True
+python_maximum_signature_line_length = 20
 
 # Add any paths that contain templates here, relative to this directory.
 templates_path = ["_templates"]
@@ -85,18 +99,14 @@
 master_doc = "index"
 
 # General information about the project.
-project = "libcasm-mapping"
 copyright = "2023, CASM Developers"
 author = "CASM Developers"
 
 # The version info for the project you're documenting, acts as replacement for
 # |version| and |release|, also used in various other places throughout the
 # built documents.
 #
-# The short X.Y version.
-version = "2.0"
-# The full version, including alpha/beta/rc tags.
-release = "2.0a2"
+
 
 # The language for content autogenerated by Sphinx. Refer to documentation
 # for a list of supported languages.
@@ -111,7 +121,7 @@
 exclude_patterns = []
 
 # The name of the Pygments (syntax highlighting) style to use.
-pygments_style = "sphinx"
+# pygments_style = "sphinx"
 
 # If true, `todo` and `todoList` produce output, else they produce nothing.
 todo_include_todos = False
@@ -130,20 +140,34 @@
 html_logo = "_static/small_logo.svg"
 html_theme_options = {
     "logo": {
-        "text": "libcasm-mapping",
+        "text": logo_text,
         "image_light": "_static/small_logo.svg",
         "image_dark": "_static/small_logo_dark.svg",
     },
     "pygment_light_style": "xcode",
     "pygment_dark_style": "lightbulb",
+    "icon_links": [
+        {
+            # Label for this link
+            "name": "GitHub",
+            "url": github_url,  # required
+            "icon": "fa-brands fa-github",
+            "type": "fontawesome",
+        },
+        {
+            # Label for this link
+            "name": "PyPI",
+            "url": pypi_url,  # required
+            "icon": "fa-brands fa-python",
+            "type": "fontawesome",
+        },
+    ],
+    # "primary_sidebar_end": ["primary_sidebar_end"]
 }
-
 # 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_favicon = "_static/small_logo.svg"
-favicons = ["small_logo.svg"]
 html_css_files = [
     "css/custom.css",
 ]
@@ -191,8 +215,8 @@
 latex_documents = [
     (
         master_doc,
-        "libcasm-mapping.tex",
-        "libcasm-mapping Documentation",
+        f"{project}.tex",
+        f"{project} Documentation",
         "CASM Developers",
         "manual",
     ),
@@ -202,9 +226,7 @@
 
 # One entry per manual page. List of tuples
 # (source start file, name, description, authors, manual section).
-man_pages = [
-    (master_doc, "libcasm-mapping", "libcasm-mapping Documentation", [author], 1)
-]
+man_pages = [(master_doc, f"{project}", f"{project} Documentation", [author], 1)]
 
 # -- Options for Texinfo output -------------------------------------------
 
@@ -214,11 +236,11 @@
 texinfo_documents = [
     (
         master_doc,
-        "libcasm-mapping",
-        "libcasm-mapping Documentation",
+        f"{project}",
+        f"{project} Documentation",
         author,
-        "libcasm-mapping",
-        "One line description of project.",
+        f"{project}",
+        project_desc,
         "Miscellaneous",
     ),
 ]

python/pyproject.toml

@@ -4,7 +4,7 @@ requires = [
     "setuptools",
     "wheel",
     "pybind11>=2.8.0",
-    "libcasm-global>=2.0.2",
-    "libcasm-xtal>=2.0a8",
+    "libcasm-global>=2.0.4",
+    "libcasm-xtal>=2.0a9",
 ]
 build-backend = "setuptools.build_meta"