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Merge pull request #1639 from glotzerlab/release-4.3.0
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Release 4.3.0
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joaander authored Oct 30, 2023
2 parents c8e5ca5 + a985796 commit da999a3
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2 changes: 1 addition & 1 deletion .bumpversion.cfg
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@@ -1,5 +1,5 @@
[bumpversion]
current_version = 4.2.1
current_version = 4.3.0
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-]*)))?$
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2 changes: 1 addition & 1 deletion .github/ISSUE_TEMPLATE/bug_report.yml
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Expand Up @@ -62,7 +62,7 @@ body:
attributes:
label: HOOMD-blue version
description: What version of HOOMD-blue are you using?
placeholder: 4.2.1
placeholder: 4.3.0
validations:
required: true
- type: markdown
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18 changes: 10 additions & 8 deletions .github/ISSUE_TEMPLATE/release.md
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Expand Up @@ -7,15 +7,9 @@ assignees: 'joaander'

---

Release checklist:
Minor and major releases:

- [ ] Update tutorial submodule.
- [ ] 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)
- [ ] Check readthedocs build, especially change log formatting.
- [Build status](https://readthedocs.org/projects/hoomd-blue/builds/)
- [Output](https://hoomd-blue.readthedocs.io/en/latest/)
- [ ] Update actions versions.
- 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
Expand All @@ -24,8 +18,16 @@ Release checklist:
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.
- [ ] Run [hoomd-validation](https://github.com/glotzerlab/hoomd-validation).

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)
- [ ] Check readthedocs build, especially change log formatting.
- [ ] Run *bumpversion*.
- [ ] Tag and push.
- [ ] Update conda-forge recipe.
- [ ] Update glotzerlab-software.
- [ ] Update *glotzerlab-software*.
- [ ] Announce release on mailing list.
2 changes: 1 addition & 1 deletion .github/workflows/release.yml
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Expand Up @@ -40,7 +40,7 @@ jobs:

steps:
- name: Checkout
uses: actions/checkout@v4.0.0
uses: actions/checkout@v4.1.1
with:
fetch-depth: 0
submodules: true
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2 changes: 1 addition & 1 deletion .github/workflows/templates/release.yml
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Expand Up @@ -27,7 +27,7 @@ jobs:

steps:
- name: Checkout
uses: actions/checkout@v4.0.0
uses: actions/checkout@v4.1.1
with:
fetch-depth: 0
submodules: true
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4 changes: 2 additions & 2 deletions .github/workflows/templates/test.yml
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Expand Up @@ -181,7 +181,7 @@ env:
run: ( shopt -s dotglob nullglob; rm -rf ./* )
shell: bash
- name: Checkout
uses: actions/checkout@v4.0.0
uses: actions/checkout@v4.1.1
with:
path: code
submodules: true
Expand Down Expand Up @@ -209,7 +209,7 @@ jobs:
runs-on: ubuntu-latest
steps:
- name: Use jetstream2-admin/start
uses: glotzerlab/jetstream2-admin/[email protected].2
uses: glotzerlab/jetstream2-admin/[email protected].3
with:
OS_APPLICATION_CREDENTIAL_ID: ${{ secrets.OS_APPLICATION_CREDENTIAL_ID }}
OS_APPLICATION_CREDENTIAL_SECRET: ${{ secrets.OS_APPLICATION_CREDENTIAL_SECRET }}
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16 changes: 8 additions & 8 deletions .github/workflows/test.yml
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Expand Up @@ -50,7 +50,7 @@ jobs:
runs-on: ubuntu-latest
steps:
- name: Use jetstream2-admin/start
uses: glotzerlab/jetstream2-admin/[email protected].2
uses: glotzerlab/jetstream2-admin/[email protected].3
with:
OS_APPLICATION_CREDENTIAL_ID: ${{ secrets.OS_APPLICATION_CREDENTIAL_ID }}
OS_APPLICATION_CREDENTIAL_SECRET: ${{ secrets.OS_APPLICATION_CREDENTIAL_SECRET }}
Expand Down Expand Up @@ -82,7 +82,7 @@ jobs:
run: ( shopt -s dotglob nullglob; rm -rf ./* )
shell: bash
- name: Checkout
uses: actions/checkout@v4.0.0
uses: actions/checkout@v4.1.1
with:
path: code
submodules: true
Expand Down Expand Up @@ -188,7 +188,7 @@ jobs:
run: ( shopt -s dotglob nullglob; rm -rf ./* )
shell: bash
- name: Checkout
uses: actions/checkout@v4.0.0
uses: actions/checkout@v4.1.1
with:
path: code
submodules: true
Expand Down Expand Up @@ -249,7 +249,7 @@ jobs:
run: ( shopt -s dotglob nullglob; rm -rf ./* )
shell: bash
- name: Checkout
uses: actions/checkout@v4.0.0
uses: actions/checkout@v4.1.1
with:
path: code
submodules: true
Expand Down Expand Up @@ -299,7 +299,7 @@ jobs:
run: ( shopt -s dotglob nullglob; rm -rf ./* )
shell: bash
- name: Checkout
uses: actions/checkout@v4.0.0
uses: actions/checkout@v4.1.1
with:
path: code
submodules: true
Expand Down Expand Up @@ -362,7 +362,7 @@ jobs:
run: ( shopt -s dotglob nullglob; rm -rf ./* )
shell: bash
- name: Checkout
uses: actions/checkout@v4.0.0
uses: actions/checkout@v4.1.1
with:
path: code
submodules: true
Expand Down Expand Up @@ -477,7 +477,7 @@ jobs:
run: ( shopt -s dotglob nullglob; rm -rf ./* )
shell: bash
- name: Checkout
uses: actions/checkout@v4.0.0
uses: actions/checkout@v4.1.1
with:
path: code
submodules: true
Expand Down Expand Up @@ -547,7 +547,7 @@ jobs:
run: ( shopt -s dotglob nullglob; rm -rf ./* )
shell: bash
- name: Checkout
uses: actions/checkout@v4.0.0
uses: actions/checkout@v4.1.1
with:
path: code
submodules: true
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3 changes: 3 additions & 0 deletions .mailmap
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Expand Up @@ -171,3 +171,6 @@ Domagoj Fijan <[email protected]> Domagoj Fijan <[email protected]>
Domagoj Fijan <[email protected]> Domagoj Fijan <[email protected]>
Adrien Chen <[email protected]> Adrien Chen <[email protected]>
Antonia Statt <[email protected]> Antonia Statt <>
Alex Lee <[email protected]> Alex <[email protected]>
Alex Lee <[email protected]> shihkual <[email protected]>
Alex Lee <[email protected]> shihkual <[email protected]>
4 changes: 2 additions & 2 deletions BUILDING.rst
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Expand Up @@ -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-4.2.1.tar.gz`_.
Release tarballs are also available as `GitHub release`_ assets: `Download hoomd-4.3.0.tar.gz`_.

.. seealso::

Expand All @@ -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-4.2.1.tar.gz: https://github.com/glotzerlab/hoomd-blue/releases/download/v4.2.1/hoomd-4.2.1.tar.gz
.. _Download hoomd-4.3.0.tar.gz: https://github.com/glotzerlab/hoomd-blue/releases/download/v4.3.0/hoomd-4.3.0.tar.gz
.. _GitHub release: https://github.com/glotzerlab/hoomd-blue/releases
.. _git book: https://git-scm.com/book
.. _Git: https://git-scm.com/
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29 changes: 29 additions & 0 deletions CHANGELOG.rst
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Expand Up @@ -6,6 +6,35 @@ Change Log

4.x
---

4.3.0 (2024-10-24)
^^^^^^^^^^^^^^^^^^

*Fixed*

* ``md.alchemy.methods.NVT`` now evolves the elements provided in ``alchemical_dof``
(`#1633 <https://github.com/glotzerlab/hoomd-blue/pull/1633>`__).
* More consistent notice messages regarding MPI ranks used in GPU selection
(`#1635 <https://github.com/glotzerlab/hoomd-blue/pull/1635>`__).
* ``hoomd.hpmc.compute.SDF`` computes correct pressures with patchy potentials.
(`#1636 <https://github.com/glotzerlab/hoomd-blue/pull/1636>`__).

*Added*

* Support GCC 13
(`#1634 <https://github.com/glotzerlab/hoomd-blue/pull/1634>`__).
* Support Python 3.12
(`#1634 <https://github.com/glotzerlab/hoomd-blue/pull/1634>`__).
* ``tau`` parameter to ``hoomd.md.methods.thermostats.Bussi``
(`#1619 <https://github.com/glotzerlab/hoomd-blue/pull/1619>`__).

*Changed*

* Revise class documentation.
(`#1628 <https://github.com/glotzerlab/hoomd-blue/pull/1628>`__).
* Add more code snippets to the class documentation
(`#1628 <https://github.com/glotzerlab/hoomd-blue/pull/1628>`__).

4.2.1 (2024-10-02)
^^^^^^^^^^^^^^^^^^

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2 changes: 1 addition & 1 deletion CMakeLists.txt
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Expand Up @@ -14,7 +14,7 @@ add_subdirectory (CMake)

################################
## Version information
set(HOOMD_VERSION_RAW "4.2.1")
set(HOOMD_VERSION_RAW "4.3.0")
string(REGEX MATCH "(.*)\\.(.*)\\.(.*)$" _hoomd_version_match ${HOOMD_VERSION_RAW})
set(HOOMD_VERSION_MAJOR ${CMAKE_MATCH_1})
set(HOOMD_VERSION_MINOR ${CMAKE_MATCH_2})
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6 changes: 3 additions & 3 deletions INSTALLING.rst
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Expand Up @@ -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=4.2.1
$ conda install hoomd=4.3.0

``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=4.2.1=*gpu*" "cuda-version=12.0"
$ conda install "hoomd=4.3.0=*gpu*" "cuda-version=12.0"

Similarly, you can force CPU only package installation with::

$ conda install "hoomd=4.2.1=*cpu*"
$ conda install "hoomd=4.3.0=*cpu*"

.. note::

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4 changes: 2 additions & 2 deletions hoomd/hpmc/external/user.py
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Expand Up @@ -84,9 +84,9 @@ class CPPExternalPotential(ExternalField):
Your code *must* return a value.
.. _VectorMath.h: https://github.com/glotzerlab/hoomd-blue/blob/\
v4.2.1/hoomd/VectorMath.h
v4.3.0/hoomd/VectorMath.h
.. _BoxDim.h: https://github.com/glotzerlab/hoomd-blue/blob/\
v4.2.1/hoomd/BoxDim.h
v4.3.0/hoomd/BoxDim.h
.. rubric:: Example:
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2 changes: 1 addition & 1 deletion hoomd/hpmc/pair/user.py
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Expand Up @@ -75,7 +75,7 @@ class CPPPotentialBase(AutotunedObject):
HOOMD-blue source code.
.. _VectorMath.h: https://github.com/glotzerlab/hoomd-blue/blob/\
v4.2.1/hoomd/VectorMath.h
v4.3.0/hoomd/VectorMath.h
Note:
Your code *must* return a value.
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4 changes: 2 additions & 2 deletions sphinx-doc/conf.py
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Expand Up @@ -63,8 +63,8 @@
copyright = f'2009-{ year } The Regents of the University of Michigan'
author = 'The Regents of the University of Michigan'

version = '4.2.1'
release = '4.2.1'
version = '4.3.0'
release = '4.3.0'

language = 'en'

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2 changes: 1 addition & 1 deletion sphinx-doc/tutorial

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