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Release 4.8.0 #1840

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Jul 15, 2024
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2 changes: 1 addition & 1 deletion .bumpversion.cfg
Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
[bumpversion]
current_version = 4.7.0
current_version = 4.8.0
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
Original file line number Diff line number Diff line change
Expand Up @@ -62,7 +62,7 @@ body:
attributes:
label: HOOMD-blue version
description: What version of HOOMD-blue are you using?
placeholder: 4.7.0
placeholder: 4.8.0
validations:
required: true
- type: markdown
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5 changes: 1 addition & 4 deletions .github/ISSUE_TEMPLATE/release.md
Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
---
name: Release checklist
about: '[for maintainer use]'
title: 'Release 4.7.0'
title: 'Release 4.8.0'
labels: ''
assignees: 'joaander'

Expand All @@ -10,9 +10,6 @@ assignees: 'joaander'
Minor and major releases:

- [ ] Update tutorial submodule.
- [ ] 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
- [ ] Check for new or duplicate contributors since the last release:
`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.
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2 changes: 2 additions & 0 deletions .mailmap
Original file line number Diff line number Diff line change
Expand Up @@ -181,3 +181,5 @@ Simone Ciarella <s.ciarella@tue.nl> SCiarella <simoneciarella@gmail.com>
Simone Ciarella <s.ciarella@tue.nl> SCiarella <58949181+SCiarella@users.noreply.github.com>
Kieran Nehil-Puleo <nehilkieran@gmail.com> kierannp <nehilkieran@gmail.com>
Cristina Butu <icb2114@columbia.edu> crisbutu <129013261+crisbutu@users.noreply.github.com>
Joseph Burkhart <joaburkh@umich.edu> josephburkhart <joaburkh@umich.edu>
Joseph Burkhart <joaburkh@umich.edu> Joseph Burkhart <61951318+josephburkhart@users.noreply.github.com>
3 changes: 0 additions & 3 deletions .pre-commit-config.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -28,9 +28,6 @@ repos:
- id: check-yaml
exclude: (?:^.github/workflows/templates) # templates are not properly formatted yaml
- id: check-case-conflict
- id: fix-encoding-pragma
args:
- --remove
- id: mixed-line-ending
- repo: https://github.com/glotzerlab/fix-license-header
rev: v0.3.2
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4 changes: 2 additions & 2 deletions BUILDING.rst
Original file line number Diff line number Diff line change
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-4.7.0.tar.gz`_.
Release tarballs are also available as `GitHub release`_ assets: `Download hoomd-4.8.0.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-4.7.0.tar.gz: https://github.com/glotzerlab/hoomd-blue/releases/download/v4.7.0/hoomd-4.7.0.tar.gz
.. _Download hoomd-4.8.0.tar.gz: https://github.com/glotzerlab/hoomd-blue/releases/download/v4.8.0/hoomd-4.8.0.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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21 changes: 13 additions & 8 deletions CHANGELOG.rst
Original file line number Diff line number Diff line change
Expand Up @@ -7,22 +7,25 @@ Change Log
4.x
---

4.8.0 (not yet released)
^^^^^^^^^^^^^^^^^^^^^^^^
4.8.0 (2024-07-11)
^^^^^^^^^^^^^^^^^^

*Added*

* ``hoomd.mpcd`` reimplements the MPCD method for simulating hydrodynamic interactions.
See the migrating page for an overview and individual class and method documentation for more
information (`#1784 <https://github.com/glotzerlab/hoomd-blue/pull/1784>`__).
* MPCD tutorial.
* Support numpy 2.0
(`#1797 <https://github.com/glotzerlab/hoomd-blue/pull/1797>`__)
* ``hoomd.hpmc.external.External`` provides an abstract interface to external potentials
(`#1811 <https://github.com/glotzerlab/hoomd-blue/pull/1811>`__).
* ``hoomd.hpmc.external.Linear`` computes linear potential as a function of the distance from a point to a plane
(`#1811 <https://github.com/glotzerlab/hoomd-blue/pull/1811>`__).
* ``hoomd.hpmc.external.Linear`` computes the potential as a linear function of the distance from a
point to a plane (`#1811 <https://github.com/glotzerlab/hoomd-blue/pull/1811>`__).
* ``HPMCIntegrator.external_potentials`` sets the list of external potentials applied to the system
(`#1811 <https://github.com/glotzerlab/hoomd-blue/pull/1811>`__).
* ``hpmc.pair.ExpandedGaussian`` computes the expanded Gaussian pair potential in HPMC
(`#1817 <https://github.com/glotzerlab/hoomd-blue/pull/1817>`__).

*Changed*

Expand All @@ -39,21 +42,23 @@ Change Log
`#1816 <https://github.com/glotzerlab/hoomd-blue/pull/1816>`__).
* Ensure that Gaussian-type pair potentials have positive sigma values
(`#1810 <https://github.com/glotzerlab/hoomd-blue/pull/1810>`__).
* Demonstrate ``Step`` and ``AngularStep`` in the tutorial "Modelling Patchy Particles".
* Fixed typographical errors in all tutorials.

*Fixed*

* Issue a proper error message when ``ALJ.shape`` is not set for all particle types
* Issue the proper error message when ``ALJ.shape`` is not set for all particle types
(`#1808 <https://github.com/glotzerlab/hoomd-blue/pull/1808>`__).
* Correctly apply brownian torque when elements of the inertia tensor are 0
* Correctly apply Brownian torque when elements of the inertia tensor are 0
(`#1825 <https://github.com/glotzerlab/hoomd-blue/pull/1825>`__).


*Deprecated*

* ``HPMCIntegrator.external_potential`` - use ``HPMCIntegrator.external_potentials``
(`#1811 <https://github.com/glotzerlab/hoomd-blue/pull/1811>`__).
* ``hoomd.hpmc.external.user.CPPExternalPotential`` - use ``hoomd.hpmc.external.Linear`` or write a custom component in C++
(`#1811 <https://github.com/glotzerlab/hoomd-blue/pull/1811>`__).
* ``hoomd.hpmc.external.user.CPPExternalPotential`` - use ``hoomd.hpmc.external.Linear`` or write a
custom component in C++ (`#1811 <https://github.com/glotzerlab/hoomd-blue/pull/1811>`__).

*Removed*

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2 changes: 1 addition & 1 deletion CMakeLists.txt
Original file line number Diff line number Diff line change
Expand Up @@ -18,7 +18,7 @@ add_subdirectory (CMake)

################################
## Version information
set(HOOMD_VERSION_RAW "4.7.0")
set(HOOMD_VERSION_RAW "4.8.0")
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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8 changes: 4 additions & 4 deletions INSTALLING.rst
Original file line number Diff line number Diff line change
Expand Up @@ -20,19 +20,19 @@ Serial CPU and single GPU builds
*linux-64*, *osx-64*, and *osx-arm64* platforms. Install the ``hoomd`` package from the conda-forge_
channel into a conda environment::

$ mamba install hoomd=4.7.0
$ mamba install hoomd=4.8.0

.. _conda-forge: https://conda-forge.org/docs/user/introduction.html

``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"
$ mamba install "hoomd=4.7.0=*gpu*" "cuda-version=12.0"
$ mamba install "hoomd=4.8.0=*gpu*" "cuda-version=12.0"

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

$ mamba install "hoomd=4.7.0=*cpu*"
$ mamba install "hoomd=4.8.0=*cpu*"

.. note::

Expand All @@ -42,7 +42,7 @@ Similarly, you can force CPU only package installation with::
.. note::

Run time compilation is no longer available on conda-forge builds starting with HOOMD-blue
4.7.0.
4.8.0.

.. tip::

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4 changes: 2 additions & 2 deletions hoomd/hpmc/external/user.py
Original file line number Diff line number Diff line change
Expand Up @@ -85,9 +85,9 @@ class CPPExternalPotential(ExternalField):
Your code *must* return a value.

.. _VectorMath.h: https://github.com/glotzerlab/hoomd-blue/blob/\
v4.7.0/hoomd/VectorMath.h
v4.8.0/hoomd/VectorMath.h
.. _BoxDim.h: https://github.com/glotzerlab/hoomd-blue/blob/\
v4.7.0/hoomd/BoxDim.h
v4.8.0/hoomd/BoxDim.h

.. rubric:: Example:

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4 changes: 2 additions & 2 deletions hoomd/hpmc/pair/user.py
Original file line number Diff line number Diff line change
Expand Up @@ -76,7 +76,7 @@ class CPPPotentialBase(AutotunedObject):
HOOMD-blue source code.

.. _VectorMath.h: https://github.com/glotzerlab/hoomd-blue/blob/\
v4.7.0/hoomd/VectorMath.h
v4.8.0/hoomd/VectorMath.h

Note:
Your code *must* return a value.
Expand Down Expand Up @@ -340,7 +340,7 @@ class CPPPotentialUnion(CPPPotentialBase):

CPPPotentialUnion uses threaded execution on multiple CPU cores.

.. deprecated:: 4.7.0
.. deprecated:: 4.8.0

``num_cpu_threads >= 1`` is deprecated. Set ``num_cpu_threads = 1``.

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4 changes: 2 additions & 2 deletions sphinx-doc/conf.py
Original file line number Diff line number Diff line change
Expand Up @@ -68,8 +68,8 @@
copyright = f'2009-{year} The Regents of the University of Michigan'
author = 'The Regents of the University of Michigan'

version = '4.7.0'
release = '4.7.0'
version = '4.8.0'
release = '4.8.0'

language = 'en'

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