Release version 1.2.0

Author: mphoward

.gitattributes

@@ -0,0 +1,2 @@
+# SCM syntax highlighting & preventing 3-way merges
+pixi.lock merge=binary linguist-language=YAML linguist-generated=true

.github/workflows/unit-test.yaml

@@ -8,7 +8,7 @@ env:
 
   #############################################################################################
   # HOOMD-blue version to build.
-  HOOMD_BLUE_VERSION: v5.3.1
+  HOOMD_BLUE_VERSION: v5.4.0
   # prevent deadlocked MPI tests from causing the job to cancel
   MPIEXEC_TIMEOUT: 3000
   # allow mpirun to execute as root in the tests
@@ -21,7 +21,7 @@ env:
   OMPI_MCA_btl: "vader,self"
 
 concurrency:
-  group: ${{ github.workflow }}-${{ github.ref }}
+  group: ${{ github.workflow }}-${{ github.head_ref || github.run_id }}
   cancel-in-progress: true
 
 on:
@@ -40,7 +40,7 @@ jobs:
     name: Build and test [${{ matrix.name }}]
     runs-on: ubuntu-24.04
     container:
-      image: nvidia/cuda:12.5.0-devel-ubuntu22.04
+      image: nvidia/cuda:12.9.1-devel-ubuntu22.04
     strategy:
       fail-fast: false
       matrix:
@@ -59,6 +59,10 @@ jobs:
             enable_mpi: "ON"
 
     steps:
+      - name: Checkout component
+        uses: actions/checkout@v5
+        with:
+          path: component
       - name: Restore cached HOOMD-blue build
         id: cache
         uses: actions/cache/restore@v4
@@ -77,19 +81,15 @@ jobs:
           submodules: true
           ref: ${{ env.HOOMD_BLUE_VERSION }}
       - name: Create Python Environment
-        uses: mamba-org/setup-micromamba@v2
+        uses: prefix-dev/setup-[email protected]
         with:
-          environment-name: test
-          environment-file: hoomd-blue/.github/workflows/environments/py312-conda-lock.yml
-          micromamba-root-path: ${{ github.workspace }}/micromamba
-
+          pixi-version: v0.54.1
+          cache: false
+          activate-environment: true
+          manifest-path: component/pixi.toml
       - name: Configure conda environment variables
         run: |
           echo "PYTHONPATH=$GITHUB_WORKSPACE/install" >> $GITHUB_ENV
-          echo "CONDA_PREFIX=$MAMBA_ROOT_PREFIX/envs/test" >> $GITHUB_ENV
-          echo "CMAKE_PREFIX_PATH=$MAMBA_ROOT_PREFIX/envs/test" >> $GITHUB_ENV
-          echo "$MAMBA_ROOT_PREFIX/envs/test/bin" >> $GITHUB_PATH
-
       - name: Configure HOOMD-blue
         if: steps.cache.outputs.cache-hit != 'true'
         run: |
@@ -116,17 +116,11 @@ jobs:
         with:
           path: install
           key: hoomd-blue-${{ env.HOOMD_BLUE_VERSION }}-mpi-${{ matrix.enable_mpi }}-gpu-${{ matrix.enable_gpu }}
-
-      - name: Checkout component
-        uses: actions/checkout@v5
-        with:
-          path: component
       - name: Configure component
         run: CMAKE_PREFIX_PATH=${GITHUB_WORKSPACE}/install cmake -S component -B build-component -GNinja -DCMAKE_BUILD_TYPE=Release
       - name: Build component
         run: ninja install -j $(($(getconf _NPROCESSORS_ONLN) + 2))
         working-directory: build-component
-
       - name: Run pytest (serial)
         run: python3 -m pytest --pyargs hoomd.${COMPONENT_NAME} -x -v -ra --durations=0 --durations-min=0.1
       - name: Run pytest (MPI)

.gitignore

@@ -6,4 +6,6 @@ build*
 doc/build
 doc/env
 **-checkpoint.ipynb
+.pixi/*
+!.pixi/config.toml
 .vscode

.pre-commit-config.yaml

@@ -13,6 +13,7 @@ repos:
     exclude_types: [svg]
   - id: check-json
   - id: check-yaml
+    exclude: "\\.clang-format"
   - id: check-case-conflict
   - id: mixed-line-ending
 - repo: https://github.com/glotzerlab/fix-license-header

.readthedocs.yaml

@@ -10,9 +10,9 @@ build:
     python: "mambaforge-23.11"
   jobs:
     post_install:
-      - wget https://github.com/glotzerlab/hoomd-blue/releases/download/v5.3.1/hoomd-5.3.1.tar.gz
-      - tar -xzvf hoomd-5.3.1.tar.gz
-      - python doc/mock_install.py hoomd-5.3.1/hoomd src
+      - wget https://github.com/glotzerlab/hoomd-blue/releases/download/v5.4.0/hoomd-5.4.0.tar.gz
+      - tar -xzvf hoomd-5.4.0.tar.gz
+      - python doc/mock_install.py hoomd-5.4.0/hoomd src
 
 conda:
   environment: doc/environment.yaml

CHANGELOG.rst

@@ -8,9 +8,19 @@ Release notes
 v1
 ---
 
+v1.2.0
+^^^^^^
+Released 14 October 2025
+
+*New features*
+
+* ``bond.ImageHarmonic`` is an alternative version of the harmonic bond potential
+  in HOOMD. It computes the distance using the particle images, rather than the
+  minimum image convention.
+
 v1.1.0
 ^^^^^^
-Released 24 January 2024
+Released 24 January 2025
 
 *New features*
 

README.md

@@ -2,7 +2,7 @@
 
 azplugins is a component for [HOOMD-blue][1] which expands its functionality for
 tackling a variety of problems in soft matter physics. Currently, azplugins is
-tested against v5.3.1 of HOOMD-blue. See [CHANGELOG.rst](CHANGELOG.rst) for a
+tested against v5.4.0 of HOOMD-blue. See [CHANGELOG.rst](CHANGELOG.rst) for a
 list of recent development.
 
 ## Compiling azplugins

doc/conf.py

@@ -18,7 +18,7 @@
 year = datetime.date.today().year
 copyright = f"2018-2020, Michael P. Howard. 2021-{year}, Auburn University."
 author = "Michael P. Howard"
-release = "1.1.0"
+release = "1.2.0"
 
 # -- General configuration ---------------------------------------------------
 # https://www.sphinx-doc.org/en/master/usage/configuration.html#general-configuration

doc/credits.rst

@@ -19,7 +19,7 @@ Contributors
 * Ashley Knoerdel
 * Kritika
 * Mayukh Kundu
-* C. Levi Petix
+* C\. Levi Petix
 * Wes Reinhart
 * Jude Ann Vishnu
 
@@ -63,7 +63,7 @@ under a BSD 3-Clause license:
 
 .. code-block:: none
 
-    Copyright (c) 2009-2024 The Regents of the University of Michigan. All
+    Copyright (c) 2009-2025 The Regents of the University of Michigan. All
     rights reserved.
 
     Redistribution and use in source and binary forms, with or without

doc/index.rst

@@ -8,7 +8,7 @@ azplugins
 
 azplugins is a component for `HOOMD-blue`_ which expands its functionality for
 tackling a variety of problems in soft matter physics. Currently, azplugins is
-tested against v5.3.1 of HOOMD-blue.
+tested against v5.4.0 of HOOMD-blue.
 
 Compiling
 =========