diff --git a/.bumpversion.cfg b/.bumpversion.cfg index aff15a35d3..98b170bf5b 100644 --- a/.bumpversion.cfg +++ b/.bumpversion.cfg @@ -1,5 +1,5 @@ [bumpversion] -current_version = 4.4.0 +current_version = 4.4.1 commit = False tag = False parse = ^(?P0|[1-9]\d*)\.(?P0|[1-9]\d*)\.(?P0|[1-9]\d*)(?:-(?P(?:0|[1-9]\d*|\d*[a-zA-Z-][0-9a-zA-Z-]*))(?:\.(?P0|[1-9]\d*|\d*[a-zA-Z-][0-9a-zA-Z-]*)))?$ diff --git a/.github/ISSUE_TEMPLATE/bug_report.yml b/.github/ISSUE_TEMPLATE/bug_report.yml index 01c13498ce..e5ab65cdca 100644 --- a/.github/ISSUE_TEMPLATE/bug_report.yml +++ b/.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 diff --git a/.github/ISSUE_TEMPLATE/release.md b/.github/ISSUE_TEMPLATE/release.md index 8c14ba67f3..1821609a5a 100644 --- a/.github/ISSUE_TEMPLATE/release.md +++ b/.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. diff --git a/BUILDING.rst b/BUILDING.rst index 9b68f4cb01..4e6196112f 100644 --- a/BUILDING.rst +++ b/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/ diff --git a/CHANGELOG.rst b/CHANGELOG.rst index b74b0cf8ee..53eff2dbb8 100644 --- a/CHANGELOG.rst +++ b/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 `__). +* Improve HPMC performance on the CPU when using a pair potential + (`#1679 `__). +* Improve HPMC performance with 3D hard shapes + (`#1679 `__). +* Improve HPMC performance on the CPU + (`#1687 `__). + +*Changed* + +* Provide support via GitHub discussions + (`#1671 `__). + +4.4.0 (2023-12-04) ^^^^^^^^^^^^^^^^^^ *Added* @@ -42,7 +61,7 @@ Change Log * ``HPMCIntegrator.depletant_fugacity > 0`` (`#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 `__). -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 `__). -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 `__). -4.1.0 (2024-08-07) +4.1.0 (2023-08-07) ^^^^^^^^^^^^^^^^^^ *Fixed* diff --git a/CMakeLists.txt b/CMakeLists.txt index f533157acc..cbbb7e4907 100644 --- a/CMakeLists.txt +++ b/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}) diff --git a/INSTALLING.rst b/INSTALLING.rst index e0503fea09..7a50846c75 100644 --- a/INSTALLING.rst +++ b/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:: diff --git a/hoomd/hpmc/external/user.py b/hoomd/hpmc/external/user.py index 13bc58c65f..6016a4bf06 100644 --- a/hoomd/hpmc/external/user.py +++ b/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: diff --git a/hoomd/hpmc/pair/user.py b/hoomd/hpmc/pair/user.py index 1282059c9b..d70a1f87e8 100644 --- a/hoomd/hpmc/pair/user.py +++ b/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) diff --git a/sphinx-doc/conf.py b/sphinx-doc/conf.py index db5016e6fe..5b2803bf1a 100644 --- a/sphinx-doc/conf.py +++ b/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' diff --git a/sphinx-doc/tutorial b/sphinx-doc/tutorial index 3e36a98c66..d02a778efa 160000 --- a/sphinx-doc/tutorial +++ b/sphinx-doc/tutorial @@ -1 +1 @@ -Subproject commit 3e36a98c667fd61404c31e5e593e8dc252816ff4 +Subproject commit d02a778efa3280d80f357f150421c6b60024465d