Merge pull request #1684 from glotzerlab/release-4.4.1

Release 4.4.1

.bumpversion.cfg

@@ -1,5 +1,5 @@
 [bumpversion]
-current_version = 4.4.0
+current_version = 4.4.1
 commit = False
 tag = False
 parse = ^(?P<major>0|[1-9]\d*)\.(?P<minor>0|[1-9]\d*)\.(?P<patch>0|[1-9]\d*)(?:-(?P<prerelease>(?:0|[1-9]\d*|\d*[a-zA-Z-][0-9a-zA-Z-]*))(?:\.(?P<number>0|[1-9]\d*|\d*[a-zA-Z-][0-9a-zA-Z-]*)))?$

.github/ISSUE_TEMPLATE/bug_report.yml

@@ -62,7 +62,7 @@ body:
     attributes:
       label: HOOMD-blue version
       description: What version of HOOMD-blue are you using?
-      placeholder: 4.4.0
+      placeholder: 4.4.1
     validations:
       required: true
   - type: markdown

.github/ISSUE_TEMPLATE/release.md

@@ -14,7 +14,7 @@ Minor and major releases:
   - See current actions usage with: `rg --no-filename --hidden uses: | awk '{$1=$1;print}' | sort | uniq`
   - Use global search and replace to update them to the latest tags
 - [ ] Check for new or duplicate contributors since the last release:
-  `comm -13 <(git log LAST_TAG --format="%aN <%aE>" | sort | uniq) <(git log --format="%aN <%aE>" | sort | uniq)`.
+  `comm -13 (git log $(git describe --tags --abbrev=0) --format="%aN <%aE>" | sort | uniq | psub) (git log --format="%aN <%aE>" | sort | uniq | psub)`.
   Add entries to `.mailmap` to remove duplicates.
 - [ ] Run [hoomd-benchmarks](https://github.com/glotzerlab/hoomd-benchmarks), check for performance
   regressions with the previous release, and post the tables in the release pull request.
@@ -23,8 +23,7 @@ Minor and major releases:
 All releases:
 
 - [ ] Update change log.
-  - ``git log --format=oneline --first-parent `git log -n 1 --pretty=format:%H -- CHANGELOG.rst`...``
-  - [milestone](https://github.com/glotzerlab/hoomd-blue/milestones)
+  - ``git log --format=oneline --first-parent $(git log -n 1 --pretty=format:%H -- CHANGELOG.rst)...``
 - [ ] Check readthedocs build, especially change log formatting.
 - [ ] Run *bumpversion*.
 - [ ] Tag and push.

BUILDING.rst

@@ -145,7 +145,7 @@ Clone using Git_::
 
    $ git clone --recursive https://github.com/glotzerlab/hoomd-blue
 
-Release tarballs are also available as `GitHub release`_ assets: `Download hoomd-4.4.0.tar.gz`_.
+Release tarballs are also available as `GitHub release`_ assets: `Download hoomd-4.4.1.tar.gz`_.
 
 .. seealso::
 
@@ -158,7 +158,7 @@ Release tarballs are also available as `GitHub release`_ assets: `Download hoomd
     Execute ``git submodule update --init`` to fetch the submodules each time you switch branches
     and the submodules show as modified.
 
-.. _Download hoomd-4.4.0.tar.gz: https://github.com/glotzerlab/hoomd-blue/releases/download/v4.4.0/hoomd-4.4.0.tar.gz
+.. _Download hoomd-4.4.1.tar.gz: https://github.com/glotzerlab/hoomd-blue/releases/download/v4.4.1/hoomd-4.4.1.tar.gz
 .. _GitHub release: https://github.com/glotzerlab/hoomd-blue/releases
 .. _git book: https://git-scm.com/book
 .. _Git: https://git-scm.com/

CHANGELOG.rst

@@ -7,7 +7,26 @@ Change Log
 4.x
 ---
 
-4.4.0 (2024-12-04)
+4.4.1 (2023-12-18)
+^^^^^^^^^^^^^^^^^^
+
+*Fixed*
+
+* Correct ``net_virial`` values in local snapshots
+  (`#1672 <https://github.com/glotzerlab/hoomd-blue/pull/1672>`__).
+* Improve HPMC performance on the CPU when using a pair potential
+  (`#1679 <https://github.com/glotzerlab/hoomd-blue/pull/1679>`__).
+* Improve HPMC performance with 3D hard shapes
+  (`#1679 <https://github.com/glotzerlab/hoomd-blue/pull/1679>`__).
+* Improve HPMC performance on the CPU
+  (`#1687 <https://github.com/glotzerlab/hoomd-blue/pull/1687>`__).
+
+*Changed*
+
+* Provide support via GitHub discussions
+  (`#1671 <https://github.com/glotzerlab/hoomd-blue/pull/1671>`__).
+
+4.4.0 (2023-12-04)
 ^^^^^^^^^^^^^^^^^^
 
 *Added*
@@ -42,7 +61,7 @@ Change Log
 * ``HPMCIntegrator.depletant_fugacity > 0``
   (`#1657 <https://github.com/glotzerlab/hoomd-blue/pull/1657>`__).
 
-4.3.0 (2024-10-24)
+4.3.0 (2023-10-24)
 ^^^^^^^^^^^^^^^^^^
 
 *Fixed*
@@ -70,7 +89,7 @@ Change Log
 * Add more code snippets to the class documentation
   (`#1628 <https://github.com/glotzerlab/hoomd-blue/pull/1628>`__).
 
-4.2.1 (2024-10-02)
+4.2.1 (2023-10-02)
 ^^^^^^^^^^^^^^^^^^
 
 *Fixed*
@@ -84,7 +103,7 @@ Change Log
 * Apple clang 15 compiles HOOMD-blue without errors
   (`#1626 <https://github.com/glotzerlab/hoomd-blue/pull/1626>`__).
 
-4.2.0 (2024-09-20)
+4.2.0 (2023-09-20)
 ^^^^^^^^^^^^^^^^^^
 
 *Fixed*
@@ -130,7 +149,7 @@ Change Log
 * Removed the unused ``ExternalFieldComposite.h`` and all the related ``ExternalFieldComposite*``
   (`#1604 <https://github.com/glotzerlab/hoomd-blue/pull/1604>`__).
 
-4.1.0 (2024-08-07)
+4.1.0 (2023-08-07)
 ^^^^^^^^^^^^^^^^^^
 
 *Fixed*

CMakeLists.txt

@@ -14,7 +14,7 @@ add_subdirectory (CMake)
 
 ################################
 ## Version information
-set(HOOMD_VERSION_RAW "4.4.0")
+set(HOOMD_VERSION_RAW "4.4.1")
 string(REGEX MATCH "(.*)\\.(.*)\\.(.*)$" _hoomd_version_match ${HOOMD_VERSION_RAW})
 set(HOOMD_VERSION_MAJOR ${CMAKE_MATCH_1})
 set(HOOMD_VERSION_MINOR ${CMAKE_MATCH_2})

INSTALLING.rst

@@ -24,17 +24,17 @@ Conda package
 **HOOMD-blue** is available on conda-forge_ on the *linux-64*, *osx-64*, and *osx-arm64* platforms.
 Install the ``hoomd`` package from the conda-forge_ channel into a conda environment::
 
-    $ conda install hoomd=4.4.0
+    $ conda install hoomd=4.4.1
 
 ``conda`` auto-detects whether your system has a GPU and attempts to install the appropriate
 package. Override this and force the GPU enabled package installation with::
 
     $ export CONDA_OVERRIDE_CUDA="12.0"
-    $ conda install "hoomd=4.4.0=*gpu*" "cuda-version=12.0"
+    $ conda install "hoomd=4.4.1=*gpu*" "cuda-version=12.0"
 
 Similarly, you can force CPU only package installation with::
 
-    $ conda install "hoomd=4.4.0=*cpu*"
+    $ conda install "hoomd=4.4.1=*cpu*"
 
 .. note::
 

hoomd/hpmc/external/user.py

@@ -84,9 +84,9 @@ class CPPExternalPotential(ExternalField):
         Your code *must* return a value.
 
     .. _VectorMath.h: https://github.com/glotzerlab/hoomd-blue/blob/\
-            v4.4.0/hoomd/VectorMath.h
+            v4.4.1/hoomd/VectorMath.h
     .. _BoxDim.h: https://github.com/glotzerlab/hoomd-blue/blob/\
-            v4.4.0/hoomd/BoxDim.h
+            v4.4.1/hoomd/BoxDim.h
 
     .. rubric:: Example:
 

hoomd/hpmc/pair/user.py

@@ -76,7 +76,7 @@ class CPPPotentialBase(AutotunedObject):
                 HOOMD-blue source code.
 
     .. _VectorMath.h: https://github.com/glotzerlab/hoomd-blue/blob/\
-            v4.4.0/hoomd/VectorMath.h
+            v4.4.1/hoomd/VectorMath.h
 
     Note:
         Your code *must* return a value.
@@ -337,7 +337,7 @@ class CPPPotentialUnion(CPPPotentialBase):
 
     CPPPotentialUnion uses threaded execution on multiple CPU cores.
 
-    .. deprecated:: 4.4.0
+    .. deprecated:: 4.4.1
 
         ``num_cpu_threads >= 1`` is deprecated. Set ``num_cpu_threads = 1``.
 
@@ -531,7 +531,7 @@ def _attach_hook(self):
         if (isinstance(self._simulation.device, hoomd.device.CPU)
                 and self._simulation.device.num_cpu_threads > 1):
             warnings.warn(
-                "num_cpu_threads > 1 is deprecated since 4.4.0. "
+                "num_cpu_threads > 1 is deprecated since 4.4.1. "
                 "Use num_cpu_threads=1.",
                 FutureWarning,
                 stacklevel=1)

sphinx-doc/conf.py

@@ -63,8 +63,8 @@
 copyright = f'2009-{ year } The Regents of the University of Michigan'
 author = 'The Regents of the University of Michigan'
 
-version = '4.4.0'
-release = '4.4.0'
+version = '4.4.1'
+release = '4.4.1'
 
 language = 'en'