Merge pull request #2270 from glotzerlab/release-7.0.0

Release 7.0.0

Author: joaander

.bumpversion.toml

@@ -1,5 +1,5 @@
 [tool.bumpversion]
-current_version = "6.1.1"
+current_version = "7.0.0"
 
 [[tool.bumpversion.files]]
 filename = "INSTALLING.rst"

.github/ISSUE_TEMPLATE/bug_report.yml

@@ -60,7 +60,7 @@ body:
     attributes:
       label: HOOMD-blue version
       description: What version of HOOMD-blue are you using?
-      placeholder: 6.1.1
+      placeholder: 7.0.0
     validations:
       required: true
   - type: markdown

.github/ISSUE_TEMPLATE/release.md

@@ -1,7 +1,7 @@
 ---
 name: Release checklist
 about: '[for maintainer use]'
-title: 'Release 6.1.1'
+title: 'Release 7.0.0'
 labels: ''
 
 ---

CHANGELOG.rst

@@ -4,28 +4,35 @@ Change Log
 Recent releases
 ---------------
 
-Next release
+7.0.0 (2026-04-07)
 ^^^^^^^^^^^^^^^^^^^^
 
-HOOMD-blue 7.0 changes the definition of the rotation trial move size ``a``. You will need to
-retune any hard-coded or saved values. Here are the distributions of the trial move rotation
-angles in HOOMD-blue 2.0–6.x and in 7.0+ for comparison:
+HOOMD-blue 7.0 writes GSD schema 2.0 files. Update your other software for compatibility:
+
+* gsd >= 5.0
+* Ovito >= 3.15.2
+* gsd-vmd >= 0.6.0
+
+HOOMD-blue 7.0 also changes the definition of the 3D rotation trial move
+size ``a`` (2D rotation moves are not changed). You will need to retune any
+hard-coded or saved values. Here are the distributions of the trial move
+rotation angles in HOOMD-blue 2.0–6.x and in 7.0+ for comparison:
 
 .. image:: https://github.com/user-attachments/assets/4a713aa9-2ec4-40dc-8363-aaf93e7eca2b
 
 *Added*
 
 * ``hoomd.hpmc.integrate.HPMCIntegrator.translate_move_dimensions``: Sets the dimensionality of HPMC translation moves,
-  enabling interfacial confinement (xy) in 3D simulations.
+  enabling interfacial confinement (xy) in 3D simulations (#2265).
+* ``create_state_from_gsd`` can now read GSD schema 2.0 files (#2249).
+* ``write.GSD`` and ``write.Burst`` can now write double precision values to GSD files.
+  Set ``precision="double"`` to enable. The default value is ``"single"``, consistent
+  with previous releases (#2249).
 
 *Changed*
 
 * Use tabs in binary installation documentation (#2246).
-* Improve the sampling of rotation trial moves (#2264).
-
-*Deprecated*
-
-*Removed*
+* Improve the sampling of 3D rotation trial moves (#2264).
 
 *Fixed*
 

CMakeLists.txt

@@ -16,7 +16,7 @@ add_subdirectory (CMake)
 
 ################################
 ## Version information
-set(HOOMD_VERSION_RAW "6.1.1")
+set(HOOMD_VERSION_RAW "7.0.0")
 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

@@ -24,19 +24,19 @@ channel:
 
     .. code-block:: bash
 
-        pixi add hoomd=6.1.1
+        pixi add hoomd=7.0.0
 
 .. tab:: Micromamba
 
     .. code-block:: bash
 
-        micromamba install hoomd=6.1.1
+        micromamba install hoomd=7.0.0
 
 .. tab:: Mamba
 
     .. code-block:: bash
 
-        mamba install hoomd=6.1.1
+        mamba install hoomd=7.0.0
 
 .. _conda-forge: https://conda-forge.org/docs/user/introduction.html
 
@@ -56,22 +56,22 @@ appropriate package. Override this and force the GPU enabled package installatio
 
     .. code-block:: bash
 
-        pixi add "hoomd=6.1.1=*gpu*"
+        pixi add "hoomd=7.0.0=*gpu*"
 
 
 .. tab:: Micromamba
 
     .. code-block:: bash
 
         export CONDA_OVERRIDE_CUDA="12.9"
-        micromamba install "hoomd=6.1.1=*gpu*" "cuda-version=12.9"
+        micromamba install "hoomd=7.0.0=*gpu*" "cuda-version=12.9"
 
 .. tab:: Mamba
 
     .. code-block:: bash
 
         export CONDA_OVERRIDE_CUDA="12.9"
-        mamba install "hoomd=6.1.1=*gpu*" "cuda-version=12.9"
+        mamba install "hoomd=7.0.0=*gpu*" "cuda-version=12.9"
 
 .. note::
 
@@ -85,16 +85,16 @@ Similarly, you can force CPU-only package installation with:
 
     .. code-block:: bash
 
-        pixi add "hoomd=6.1.1=*cpu*"
+        pixi add "hoomd=7.0.0=*cpu*"
 
 .. tab:: Micromamba
 
     .. code-block:: bash
 
-        micromamba install "hoomd=6.1.1=*cpu*"
+        micromamba install "hoomd=7.0.0=*cpu*"
 
 .. tab:: Mamba
 
     .. code-block:: bash
 
-        mamba install "hoomd=6.1.1=*cpu*"
+        mamba install "hoomd=7.0.0=*cpu*"

hoomd/hpmc/UpdaterMuVT.h

@@ -692,8 +692,7 @@ template<class Shape> void UpdaterMuVT<Shape>::update(uint64_t timestep)
                 {
                 const std::vector<typename Shape::param_type,
                                   hoomd::detail::managed_allocator<typename Shape::param_type>>&
-                    params
-                    = m_mc->getParams();
+                    params = m_mc->getParams();
                 const typename Shape::param_type& param = params[type];
 
                 // Propose a random position uniformly in the box

hoomd/md/PotentialPairAlchemical.h

@@ -78,16 +78,14 @@ class PotentialPairAlchemical : public PotentialPair<evaluator>
     void enableAlchemicalPairParticle(std::shared_ptr<alpha_particle_type> alpha_p)
         {
         m_alchemy_mask[m_alchemy_index(alpha_p->m_type_pair_param.x, alpha_p->m_type_pair_param.y)]
-                      [alpha_p->m_type_pair_param.z]
-            = true;
+                      [alpha_p->m_type_pair_param.z] = true;
         alpha_p->resizeForces(m_pdata->getN());
         }
 
     void disableAlchemicalPairParticle(std::shared_ptr<alpha_particle_type> alpha_p)
         {
         m_alchemy_mask[m_alchemy_index(alpha_p->m_type_pair_param.x, alpha_p->m_type_pair_param.y)]
-                      [alpha_p->m_type_pair_param.z]
-            = false;
+                      [alpha_p->m_type_pair_param.z] = false;
         }
 
     protected:

prek.toml

@@ -107,14 +107,14 @@ hooks = [
 
 [[repos]]
 repo = "https://github.com/kynan/nbstripout"
-rev = "0.9.0"
+rev = "0.9.1"
 hooks = [
   { id = "nbstripout" }
 ]
 
 [[repos]]
 repo = "https://github.com/astral-sh/ruff-pre-commit"
-rev = "v0.15.1"
+rev = "v0.15.9"
 hooks = [
   {
     id = "ruff-format",
@@ -128,7 +128,7 @@ hooks = [
 
 [[repos]]
 repo = "https://github.com/pre-commit/mirrors-clang-format"
-rev = "v21.1.8"
+rev = "v22.1.2"
 hooks = [
   {
     id = "clang-format",
@@ -149,7 +149,7 @@ hooks = [
 
 [[repos]]
 repo = "https://github.com/mit-d/check-unicode"
-rev = "v0.5.0"
+rev = "v0.6.0"
 hooks = [
   { id = "check-unicode",
     args = [

sphinx-doc/conf.py

@@ -90,8 +90,8 @@
 copyright = f"2009-{year} The Regents of the University of Michigan"
 author = "The Regents of the University of Michigan"
 
-version = "6.1.1"
-release = "6.1.1"
+version = "7.0.0"
+release = "7.0.0"
 
 language = "en"