libcasm-mapping 2.0a2__tar.gz → 2.0a4__tar.gz

{libcasm-mapping-2.0a2 → libcasm_mapping-2.0a4}/CHANGELOG.md

@@ -5,6 +5,37 @@ 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).
 
+## [v2.0a4] - 2024-07-12
+
+### Added
+
+- Added `cost` methods to IsotropicAtomCost, SymmetryBreakingAtomCost, and WeightedTotalCost equivalent to the __call__ operators to improve documentation.
+
+### Changed
+
+- Changed default `atom_cost_f` for libcasm.mapping.mapsearch.MappingSearch to IsotropicAtomCost.
+- Changed MappingSearch node insertion so that nodes are only added to the queue if the total cost is less than or equal to the current max_cost instead of always.
+- Wheels compiled with numpy>=2.0.0
+
+### Fixed
+
+- Documentation errors
+- Renamed QueueConstraints constructor parameter which was misnamed `min_queue_size` to the correct name `max_queue_size`
+- Fixed MappingSearch node insertion so that solutions are only added to the results if the total cost is less than or equal to the current max_cost even if the current number of results is less than k_best.
+
+
+## [v2.0a3] - 2024-03-14
+
+### 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

{libcasm-mapping-2.0a2/python/libcasm_mapping.egg-info → libcasm_mapping-2.0a4}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: libcasm-mapping
-Version: 2.0a2
+Version: 2.0a4
 Summary: CASM structure mapping
 Author-email: CASM developers <casm-developers@lists.engr.ucsb.edu>
 License: LGPL2.1+
@@ -14,8 +14,8 @@ Classifier: Topic :: Scientific/Engineering
 Requires-Python: >=3.9
 Description-Content-Type: text/markdown
 License-File: LICENSE
-Requires-Dist: libcasm-global>=2.0.2
-Requires-Dist: libcasm-xtal>=2.0a8
+Requires-Dist: libcasm-global>=2.0.5
+Requires-Dist: libcasm-xtal>=2.0a10
 Requires-Dist: numpy
 
 <img alt="Shows the CASM logo" src="https://raw.githubusercontent.com/prisms-center/CASMcode_global/main/python/doc/_static/logo.svg" width="600" />
@@ -37,7 +37,7 @@ The libcasm-mapping package is the CASM structure mapping module. This includes:
 
 #### Usage
 
-See the [libcasm-mapping docs](todo).
+See the [libcasm docs](https://prisms-center.github.io/CASMcode_pydocs/libcasm/overview/latest/).
 
 
 #### About CASM

{libcasm-mapping-2.0a2 → libcasm_mapping-2.0a4}/README.md

@@ -17,7 +17,7 @@ The libcasm-mapping package is the CASM structure mapping module. This includes:
 
 #### Usage
 
-See the [libcasm-mapping docs](todo).
+See the [libcasm docs](https://prisms-center.github.io/CASMcode_pydocs/libcasm/overview/latest/).
 
 
 #### About CASM

{libcasm-mapping-2.0a2 → libcasm_mapping-2.0a4}/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>=2.0.5
+libcasm-xtal>=2.0a10

{libcasm-mapping-2.0a2 → libcasm_mapping-2.0a4}/include/casm/mapping/MappingSearch.hh

@@ -269,7 +269,9 @@ inline void MappingSearch::pop_front() { queue.erase(queue.begin()); }
 /// \brief Erase highest total cost MappingNode in the queue
 ///
 /// Invalid if !size()
-inline void MappingSearch::pop_back() { queue.erase(queue.rbegin().base()); }
+inline void MappingSearch::pop_back() {
+  queue.erase(std::next(queue.rbegin()).base());
+}
 
 /// \brief Return the size of the queue
 inline Index MappingSearch::size() const { return queue.size(); }

{libcasm-mapping-2.0a2 → libcasm_mapping-2.0a4}/pyproject.toml

@@ -6,14 +6,14 @@ requires = [
     "cmake>=3.20",
     "ninja",
     "pybind11>=2.6",
-    "libcasm-global>=2.0.2",
-    "libcasm-xtal>=2.0a8",
+    "libcasm-global>=2.0.5",
+    "libcasm-xtal>=2.0a10",
 ]
 build-backend = "setuptools.build_meta"
 
 [project]
 name = "libcasm-mapping"
-version = "2.0a2"
+version = "2.0a4"
 authors = [
   { name="CASM developers", email="casm-developers@lists.engr.ucsb.edu" },
 ]
@@ -29,8 +29,8 @@ classifiers = [
     "Topic :: Scientific/Engineering",
 ]
 dependencies = [
-  "libcasm-global>=2.0.2",
-  "libcasm-xtal>=2.0a8",
+  "libcasm-global>=2.0.5",
+  "libcasm-xtal>=2.0a10",
   "numpy",
 ]
 
@@ -39,19 +39,19 @@ Homepage = "https://prisms-center.github.io/CASMcode_docs/"
 Repository = "https://github.com/prisms-center/CASMcode_mapping"
 
 
-[tool.ruff]
-select = ["E", "F", "I"]
+[tool.ruff.lint]
+select = ["NPY201", "E", "F", "I"]
 
-[tool.ruff.per-file-ignores]
+[tool.ruff.lint.per-file-ignores]
 "__init__.py" = ["F401"]
 
-[tool.ruff.isort]
+[tool.ruff.lint.isort]
 known-first-party = ["libcasm", "casm"]
 
 
 [tool.cibuildwheel]
-# Build for python3.9, 3.10, 3.11
-build = "cp39-* cp310-* cp311-*"
+# Build for python3.9, 3.10, 3.11, 3.12
+build = "cp39-* cp310-* cp311-* cp312-*"
 # Build for cpython only
 skip =  "pp*"
 

{libcasm-mapping-2.0a2 → libcasm_mapping-2.0a4}/python/doc/_static/css/custom.css

@@ -1,11 +1,48 @@
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+:root[data-theme='light']  {
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   --pst-color-link: #0072b5;
   --pst-color-inline-code: #0072b5;
   --sd-color-card-border-hover: #0072b5;
+
+  dt {
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+  }
+
+}
+
+:root[data-theme='dark'] {
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+  --pst-color-secondary: #CBDB2A;
+  --pst-color-link: #6DC8BF;
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+  --sd-color-card-border-hover: #6DC8BF;
+
+  dt {
+    background-color: #6A4729F7;
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+
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+    content: var(--pst-icon-admonition-note);
+  }
+
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+
+  /* deprecated */
+  --pst-color-danger: #f9e1e4;
+  --pst-color-danger-bg: #d72d47;
 }
 
+
+
 /* Fix breadcrumb overlap https://github.com/holoviz/panel/issues/5199 */
 .header-article__inner .header-article-item {
   height: unset;

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