From d829923aa2dbb76d1b7276868e37af6dcaa8bbe4 Mon Sep 17 00:00:00 2001
From: "Joshua A. Anderson" <joaander@umich.edu>
Date: Mon, 3 Jun 2024 11:31:36 -0400
Subject: [PATCH 1/7] Update CI test matrix.

---
 .github/workflows/release.yml                 |  2 +-
 .../workflows/templates/configurations.yml    | 30 +++---
 .github/workflows/templates/workflow.yml      |  2 +-
 .github/workflows/test.yml                    | 96 ++++++++-----------
 4 files changed, 57 insertions(+), 73 deletions(-)

diff --git a/.github/workflows/release.yml b/.github/workflows/release.yml
index eaba8faca3..4507612bc8 100644
--- a/.github/workflows/release.yml
+++ b/.github/workflows/release.yml
@@ -36,7 +36,7 @@ jobs:
     name: Build release tarball
     runs-on: ubuntu-latest
     container:
-      image: glotzerlab/ci:2024.03.01-ubuntu20.04
+      image: glotzerlab/ci:2024.06.03-ubuntu20.04
 
     steps:
       - name: Checkout
diff --git a/.github/workflows/templates/configurations.yml b/.github/workflows/templates/configurations.yml
index 5c6a18d09f..9f66fd9c0d 100644
--- a/.github/workflows/templates/configurations.yml
+++ b/.github/workflows/templates/configurations.yml
@@ -3,11 +3,11 @@
 # - config: a string encoded list containing the docker image name and any number of build options.
 # - The build options are `mpi`, `tbb`, `llvm`, `nomd`, and `nohpmc`.
 unit_test_configurations:
-- config: "[clang14_py311, mpi, tbb, llvm]"
-- config: "[gcc13_py312]"
-- config: "[gcc13_py312, nomd]"
-- config: "[gcc13_py312, nohpmc]"
-- config: "[gcc13_py312, nomd, nohpmc]"
+- config: "[clang18_py312, mpi, tbb, llvm]"
+- config: "[gcc14_py312]"
+- config: "[gcc14_py312, nomd]"
+- config: "[gcc14_py312, nohpmc]"
+- config: "[gcc14_py312, nomd, nohpmc]"
 - config: "[cuda120_gcc11_py310, mpi, llvm, debug]"
 - config: "[cuda120_gcc11_py310, mpi, llvm]"
 - config: "[cuda120_gcc11_py310]"
@@ -16,28 +16,24 @@ unit_test_configurations:
 # Configurations on which to run longer validation tests. Must be a subset of
 # `unit_test_configurations`
 validate_configurations:
-- config: "[clang14_py311, mpi, tbb, llvm]"
-- config: "[gcc13_py312]"
+- config: "[clang18_py311, mpi, tbb, llvm]"
+- config: "[gcc14_py312]"
 - config: "[cuda120_gcc11_py310, mpi, llvm]"
 - config: "[cuda120_gcc11_py310]"
 
 # Configurations to build and test only rarely, such as just before a release.
 # There should be no overlap between this list and `unit_test_configurations`
 release_test_configurations:
-- config: "[gcc12_py311]"
-- config: "[clang16_py311, mpi, llvm]"
-- config: "[clang15_py311, mpi, llvm]"
+- config: "[clang17_py312, mpi, llvm]"
+- config: "[clang16_py312, mpi, llvm]"
+- config: "[clang15_py312, mpi, llvm]"
+- config: "[clang14_py311, mpi, llvm]"
 - config: "[clang13_py310, llvm]"
 - config: "[clang12_py310, llvm]"
 - config: "[clang11_py310, llvm]"
+- config: "[gcc13_py312]"
+- config: "[gcc12_py311]"
 - config: "[gcc11_py310]"
 - config: "[gcc10_py310]"
 - config: "[cuda118_gcc11_py310, mpi, llvm]"
 - config: "[cuda117_gcc11_py310, mpi, llvm]"
-- config: "[cuda116_gcc9_py38, mpi, llvm]"
-- config: "[cuda115_gcc9_py38, mpi, llvm]"
-- config: "[cuda114_gcc9_py38, mpi, llvm]"
-- config: "[cuda113_gcc9_py38, mpi, llvm]"
-- config: "[cuda112_gcc9_py38, mpi, llvm]"
-- config: "[cuda111_gcc9_py38, mpi, llvm]"
-- config: "[clang10_py38, llvm]"
diff --git a/.github/workflows/templates/workflow.yml b/.github/workflows/templates/workflow.yml
index 50a4551c14..6d828a522e 100644
--- a/.github/workflows/templates/workflow.yml
+++ b/.github/workflows/templates/workflow.yml
@@ -1,5 +1,5 @@
 <% block name %><% endblock %>
-<% set container_prefix="glotzerlab/ci:2024.03.01" %>
+<% set container_prefix="glotzerlab/ci:2024.06.03" %>
 
 <% block concurrency %>
 concurrency:
diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml
index f1f62a94ad..64b4c65475 100644
--- a/.github/workflows/test.yml
+++ b/.github/workflows/test.yml
@@ -61,15 +61,15 @@ jobs:
     name: Build [${{ join(matrix.config, '_') }}]
     runs-on: ${{ matrix.build_runner }}
     container:
-      image: glotzerlab/ci:2024.03.01-${{ matrix.config[0] }}
+      image: glotzerlab/ci:2024.06.03-${{ matrix.config[0] }}
     strategy:
       matrix:
         include:
-        - {config: [clang14_py311, mpi, tbb, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
-        - {config: [gcc13_py312], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
-        - {config: [gcc13_py312, nomd], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
-        - {config: [gcc13_py312, nohpmc], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
-        - {config: [gcc13_py312, nomd, nohpmc], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [clang18_py312, mpi, tbb, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [gcc14_py312], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [gcc14_py312, nomd], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [gcc14_py312, nohpmc], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [gcc14_py312, nomd, nohpmc], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [cuda120_gcc11_py310, mpi, llvm, debug], build_runner: [self-hosted,jetstream2,CPU], test_runner: [self-hosted,GPU], test_docker_options: '--gpus=all --device /dev/nvidia0 --device /dev/nvidia1 --device /dev/nvidia-uvm --device /dev/nvidia-uvm-tools --device /dev/nvidiactl' }
         - {config: [cuda120_gcc11_py310, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: [self-hosted,GPU], test_docker_options: '--gpus=all --device /dev/nvidia0 --device /dev/nvidia1 --device /dev/nvidia-uvm --device /dev/nvidia-uvm-tools --device /dev/nvidiactl' }
         - {config: [cuda120_gcc11_py310], build_runner: [self-hosted,jetstream2,CPU], test_runner: [self-hosted,GPU], test_docker_options: '--gpus=all --device /dev/nvidia0 --device /dev/nvidia1 --device /dev/nvidia-uvm --device /dev/nvidia-uvm-tools --device /dev/nvidiactl' }
@@ -170,16 +170,16 @@ jobs:
     needs: build
     runs-on: ${{ matrix.test_runner }}
     container:
-      image: glotzerlab/ci:2024.03.01-${{ matrix.config[0] }}
+      image: glotzerlab/ci:2024.06.03-${{ matrix.config[0] }}
       options: ${{ matrix.test_docker_options }} -e CUDA_VISIBLE_DEVICES
     strategy:
       matrix:
         include:
-        - {config: [clang14_py311, mpi, tbb, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
-        - {config: [gcc13_py312], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
-        - {config: [gcc13_py312, nomd], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
-        - {config: [gcc13_py312, nohpmc], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
-        - {config: [gcc13_py312, nomd, nohpmc], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [clang18_py312, mpi, tbb, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [gcc14_py312], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [gcc14_py312, nomd], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [gcc14_py312, nohpmc], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [gcc14_py312, nomd, nohpmc], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [cuda120_gcc11_py310, mpi, llvm, debug], build_runner: [self-hosted,jetstream2,CPU], test_runner: [self-hosted,GPU], test_docker_options: '--gpus=all --device /dev/nvidia0 --device /dev/nvidia1 --device /dev/nvidia-uvm --device /dev/nvidia-uvm-tools --device /dev/nvidiactl' }
         - {config: [cuda120_gcc11_py310, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: [self-hosted,GPU], test_docker_options: '--gpus=all --device /dev/nvidia0 --device /dev/nvidia1 --device /dev/nvidia-uvm --device /dev/nvidia-uvm-tools --device /dev/nvidiactl' }
         - {config: [cuda120_gcc11_py310], build_runner: [self-hosted,jetstream2,CPU], test_runner: [self-hosted,GPU], test_docker_options: '--gpus=all --device /dev/nvidia0 --device /dev/nvidia1 --device /dev/nvidia-uvm --device /dev/nvidia-uvm-tools --device /dev/nvidiactl' }
@@ -231,16 +231,16 @@ jobs:
     needs: build
     runs-on: ${{ matrix.test_runner }}
     container:
-      image: glotzerlab/ci:2024.03.01-${{ matrix.config[0] }}
+      image: glotzerlab/ci:2024.06.03-${{ matrix.config[0] }}
       options: ${{ matrix.test_docker_options }} -e CUDA_VISIBLE_DEVICES
     strategy:
       matrix:
         include:
-        - {config: [clang14_py311, mpi, tbb, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
-        - {config: [gcc13_py312], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
-        - {config: [gcc13_py312, nomd], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
-        - {config: [gcc13_py312, nohpmc], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
-        - {config: [gcc13_py312, nomd, nohpmc], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [clang18_py312, mpi, tbb, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [gcc14_py312], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [gcc14_py312, nomd], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [gcc14_py312, nohpmc], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [gcc14_py312, nomd, nohpmc], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [cuda120_gcc11_py310, mpi, llvm, debug], build_runner: [self-hosted,jetstream2,CPU], test_runner: [self-hosted,GPU], test_docker_options: '--gpus=all --device /dev/nvidia0 --device /dev/nvidia1 --device /dev/nvidia-uvm --device /dev/nvidia-uvm-tools --device /dev/nvidiactl' }
         - {config: [cuda120_gcc11_py310, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: [self-hosted,GPU], test_docker_options: '--gpus=all --device /dev/nvidia0 --device /dev/nvidia1 --device /dev/nvidia-uvm --device /dev/nvidia-uvm-tools --device /dev/nvidiactl' }
         - {config: [cuda120_gcc11_py310], build_runner: [self-hosted,jetstream2,CPU], test_runner: [self-hosted,GPU], test_docker_options: '--gpus=all --device /dev/nvidia0 --device /dev/nvidia1 --device /dev/nvidia-uvm --device /dev/nvidia-uvm-tools --device /dev/nvidiactl' }
@@ -285,13 +285,13 @@ jobs:
     needs: build
     runs-on: ${{ matrix.test_runner }}
     container:
-      image: glotzerlab/ci:2024.03.01-${{ matrix.config[0] }}
+      image: glotzerlab/ci:2024.06.03-${{ matrix.config[0] }}
       options: ${{ matrix.test_docker_options }} -e CUDA_VISIBLE_DEVICES
     strategy:
       matrix:
         include:
-        - {config: [clang14_py311, mpi, tbb, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
-        - {config: [gcc13_py312], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [clang18_py311, mpi, tbb, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [gcc14_py312], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [cuda120_gcc11_py310, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: [self-hosted,GPU], test_docker_options: '--gpus=all --device /dev/nvidia0 --device /dev/nvidia1 --device /dev/nvidia-uvm --device /dev/nvidia-uvm-tools --device /dev/nvidiactl' }
         - {config: [cuda120_gcc11_py310], build_runner: [self-hosted,jetstream2,CPU], test_runner: [self-hosted,GPU], test_docker_options: '--gpus=all --device /dev/nvidia0 --device /dev/nvidia1 --device /dev/nvidia-uvm --device /dev/nvidia-uvm-tools --device /dev/nvidiactl' }
 
@@ -336,27 +336,23 @@ jobs:
     name: Build [${{ join(matrix.config, '_') }}]
     runs-on: ${{ matrix.build_runner }}
     container:
-      image: glotzerlab/ci:2024.03.01-${{ matrix.config[0] }}
+      image: glotzerlab/ci:2024.06.03-${{ matrix.config[0] }}
     strategy:
       matrix:
         include:
-        - {config: [gcc12_py311], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
-        - {config: [clang16_py311, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
-        - {config: [clang15_py311, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [clang17_py312, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [clang16_py312, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [clang15_py312, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [clang14_py311, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [clang13_py310, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [clang12_py310, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [clang11_py310, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [gcc13_py312], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [gcc12_py311], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [gcc11_py310], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [gcc10_py310], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [cuda118_gcc11_py310, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: [self-hosted,GPU], test_docker_options: '--gpus=all --device /dev/nvidia0 --device /dev/nvidia1 --device /dev/nvidia-uvm --device /dev/nvidia-uvm-tools --device /dev/nvidiactl' }
         - {config: [cuda117_gcc11_py310, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: [self-hosted,GPU], test_docker_options: '--gpus=all --device /dev/nvidia0 --device /dev/nvidia1 --device /dev/nvidia-uvm --device /dev/nvidia-uvm-tools --device /dev/nvidiactl' }
-        - {config: [cuda116_gcc9_py38, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: [self-hosted,GPU], test_docker_options: '--gpus=all --device /dev/nvidia0 --device /dev/nvidia1 --device /dev/nvidia-uvm --device /dev/nvidia-uvm-tools --device /dev/nvidiactl' }
-        - {config: [cuda115_gcc9_py38, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: [self-hosted,GPU], test_docker_options: '--gpus=all --device /dev/nvidia0 --device /dev/nvidia1 --device /dev/nvidia-uvm --device /dev/nvidia-uvm-tools --device /dev/nvidiactl' }
-        - {config: [cuda114_gcc9_py38, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: [self-hosted,GPU], test_docker_options: '--gpus=all --device /dev/nvidia0 --device /dev/nvidia1 --device /dev/nvidia-uvm --device /dev/nvidia-uvm-tools --device /dev/nvidiactl' }
-        - {config: [cuda113_gcc9_py38, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: [self-hosted,GPU], test_docker_options: '--gpus=all --device /dev/nvidia0 --device /dev/nvidia1 --device /dev/nvidia-uvm --device /dev/nvidia-uvm-tools --device /dev/nvidiactl' }
-        - {config: [cuda112_gcc9_py38, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: [self-hosted,GPU], test_docker_options: '--gpus=all --device /dev/nvidia0 --device /dev/nvidia1 --device /dev/nvidia-uvm --device /dev/nvidia-uvm-tools --device /dev/nvidiactl' }
-        - {config: [cuda111_gcc9_py38, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: [self-hosted,GPU], test_docker_options: '--gpus=all --device /dev/nvidia0 --device /dev/nvidia1 --device /dev/nvidia-uvm --device /dev/nvidia-uvm-tools --device /dev/nvidiactl' }
-        - {config: [clang10_py38, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
 
     if: ${{ contains(github.event.pull_request.labels.*.name, 'release') }}
     steps:
@@ -450,28 +446,24 @@ jobs:
     needs: build_release
     runs-on: ${{ matrix.test_runner }}
     container:
-      image: glotzerlab/ci:2024.03.01-${{ matrix.config[0] }}
+      image: glotzerlab/ci:2024.06.03-${{ matrix.config[0] }}
       options: ${{ matrix.test_docker_options }} -e CUDA_VISIBLE_DEVICES
     strategy:
       matrix:
         include:
-        - {config: [gcc12_py311], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
-        - {config: [clang16_py311, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
-        - {config: [clang15_py311, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [clang17_py312, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [clang16_py312, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [clang15_py312, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [clang14_py311, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [clang13_py310, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [clang12_py310, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [clang11_py310, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [gcc13_py312], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [gcc12_py311], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [gcc11_py310], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [gcc10_py310], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [cuda118_gcc11_py310, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: [self-hosted,GPU], test_docker_options: '--gpus=all --device /dev/nvidia0 --device /dev/nvidia1 --device /dev/nvidia-uvm --device /dev/nvidia-uvm-tools --device /dev/nvidiactl' }
         - {config: [cuda117_gcc11_py310, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: [self-hosted,GPU], test_docker_options: '--gpus=all --device /dev/nvidia0 --device /dev/nvidia1 --device /dev/nvidia-uvm --device /dev/nvidia-uvm-tools --device /dev/nvidiactl' }
-        - {config: [cuda116_gcc9_py38, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: [self-hosted,GPU], test_docker_options: '--gpus=all --device /dev/nvidia0 --device /dev/nvidia1 --device /dev/nvidia-uvm --device /dev/nvidia-uvm-tools --device /dev/nvidiactl' }
-        - {config: [cuda115_gcc9_py38, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: [self-hosted,GPU], test_docker_options: '--gpus=all --device /dev/nvidia0 --device /dev/nvidia1 --device /dev/nvidia-uvm --device /dev/nvidia-uvm-tools --device /dev/nvidiactl' }
-        - {config: [cuda114_gcc9_py38, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: [self-hosted,GPU], test_docker_options: '--gpus=all --device /dev/nvidia0 --device /dev/nvidia1 --device /dev/nvidia-uvm --device /dev/nvidia-uvm-tools --device /dev/nvidiactl' }
-        - {config: [cuda113_gcc9_py38, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: [self-hosted,GPU], test_docker_options: '--gpus=all --device /dev/nvidia0 --device /dev/nvidia1 --device /dev/nvidia-uvm --device /dev/nvidia-uvm-tools --device /dev/nvidiactl' }
-        - {config: [cuda112_gcc9_py38, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: [self-hosted,GPU], test_docker_options: '--gpus=all --device /dev/nvidia0 --device /dev/nvidia1 --device /dev/nvidia-uvm --device /dev/nvidia-uvm-tools --device /dev/nvidiactl' }
-        - {config: [cuda111_gcc9_py38, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: [self-hosted,GPU], test_docker_options: '--gpus=all --device /dev/nvidia0 --device /dev/nvidia1 --device /dev/nvidia-uvm --device /dev/nvidia-uvm-tools --device /dev/nvidiactl' }
-        - {config: [clang10_py38, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
 
     if: ${{ contains(github.event.pull_request.labels.*.name, 'release') }}
     steps:
@@ -520,28 +512,24 @@ jobs:
     needs: build_release
     runs-on: ${{ matrix.test_runner }}
     container:
-      image: glotzerlab/ci:2024.03.01-${{ matrix.config[0] }}
+      image: glotzerlab/ci:2024.06.03-${{ matrix.config[0] }}
       options: ${{ matrix.test_docker_options }} -e CUDA_VISIBLE_DEVICES
     strategy:
       matrix:
         include:
-        - {config: [gcc12_py311], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
-        - {config: [clang16_py311, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
-        - {config: [clang15_py311, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [clang17_py312, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [clang16_py312, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [clang15_py312, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [clang14_py311, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [clang13_py310, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [clang12_py310, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [clang11_py310, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [gcc13_py312], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [gcc12_py311], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [gcc11_py310], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [gcc10_py310], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [cuda118_gcc11_py310, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: [self-hosted,GPU], test_docker_options: '--gpus=all --device /dev/nvidia0 --device /dev/nvidia1 --device /dev/nvidia-uvm --device /dev/nvidia-uvm-tools --device /dev/nvidiactl' }
         - {config: [cuda117_gcc11_py310, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: [self-hosted,GPU], test_docker_options: '--gpus=all --device /dev/nvidia0 --device /dev/nvidia1 --device /dev/nvidia-uvm --device /dev/nvidia-uvm-tools --device /dev/nvidiactl' }
-        - {config: [cuda116_gcc9_py38, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: [self-hosted,GPU], test_docker_options: '--gpus=all --device /dev/nvidia0 --device /dev/nvidia1 --device /dev/nvidia-uvm --device /dev/nvidia-uvm-tools --device /dev/nvidiactl' }
-        - {config: [cuda115_gcc9_py38, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: [self-hosted,GPU], test_docker_options: '--gpus=all --device /dev/nvidia0 --device /dev/nvidia1 --device /dev/nvidia-uvm --device /dev/nvidia-uvm-tools --device /dev/nvidiactl' }
-        - {config: [cuda114_gcc9_py38, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: [self-hosted,GPU], test_docker_options: '--gpus=all --device /dev/nvidia0 --device /dev/nvidia1 --device /dev/nvidia-uvm --device /dev/nvidia-uvm-tools --device /dev/nvidiactl' }
-        - {config: [cuda113_gcc9_py38, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: [self-hosted,GPU], test_docker_options: '--gpus=all --device /dev/nvidia0 --device /dev/nvidia1 --device /dev/nvidia-uvm --device /dev/nvidia-uvm-tools --device /dev/nvidiactl' }
-        - {config: [cuda112_gcc9_py38, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: [self-hosted,GPU], test_docker_options: '--gpus=all --device /dev/nvidia0 --device /dev/nvidia1 --device /dev/nvidia-uvm --device /dev/nvidia-uvm-tools --device /dev/nvidiactl' }
-        - {config: [cuda111_gcc9_py38, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: [self-hosted,GPU], test_docker_options: '--gpus=all --device /dev/nvidia0 --device /dev/nvidia1 --device /dev/nvidia-uvm --device /dev/nvidia-uvm-tools --device /dev/nvidiactl' }
-        - {config: [clang10_py38, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
 
     if: ${{ contains(github.event.pull_request.labels.*.name, 'release') }}
     steps:

From 311374b16a4db4f909d8637e3c08504a9e4de62d Mon Sep 17 00:00:00 2001
From: "Joshua A. Anderson" <joaander@umich.edu>
Date: Mon, 3 Jun 2024 12:36:05 -0400
Subject: [PATCH 2/7] Temporarily disable warnings as errors.

---
 .github/workflows/templates/test.yml | 8 ++++----
 .github/workflows/test.yml           | 8 ++++----
 2 files changed, 8 insertions(+), 8 deletions(-)

diff --git a/.github/workflows/templates/test.yml b/.github/workflows/templates/test.yml
index bf7f5e6370..ee22907e05 100644
--- a/.github/workflows/templates/test.yml
+++ b/.github/workflows/templates/test.yml
@@ -219,10 +219,10 @@ jobs:
   build:
 << job(name='Build', run_tests=False, configurations=unit_test_configurations) >>
     steps:
-    - name: Set Werror on recent compilers
-      run: |
-        echo "CXXFLAGS=-Werror" >> $GITHUB_ENV
-      if: ${{ !startsWith(matrix.config[0], 'gcc7') }}
+    # - name: Set Werror on recent compilers
+    #   run: |
+    #     echo "CXXFLAGS=-Werror" >> $GITHUB_ENV
+    #   if: ${{ !startsWith(matrix.config[0], 'gcc7') }}
 << prepare_steps >>
 << build_steps >>
 << upload_steps >>
diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml
index 64b4c65475..68106cb303 100644
--- a/.github/workflows/test.yml
+++ b/.github/workflows/test.yml
@@ -76,10 +76,10 @@ jobs:
         - {config: [gcc9_py39], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
 
     steps:
-    - name: Set Werror on recent compilers
-      run: |
-        echo "CXXFLAGS=-Werror" >> $GITHUB_ENV
-      if: ${{ !startsWith(matrix.config[0], 'gcc7') }}
+    # - name: Set Werror on recent compilers
+    #   run: |
+    #     echo "CXXFLAGS=-Werror" >> $GITHUB_ENV
+    #   if: ${{ !startsWith(matrix.config[0], 'gcc7') }}
     - name: Clean workspace
       run: ( shopt -s dotglob nullglob; rm -rf ./* )
       shell: bash

From 96956189d7b287252db14482e1dd987a54cbdeca Mon Sep 17 00:00:00 2001
From: "Joshua A. Anderson" <joaander@umich.edu>
Date: Mon, 3 Jun 2024 12:41:38 -0400
Subject: [PATCH 3/7] Build without llvm on clang18.

---
 .github/workflows/templates/configurations.yml | 4 ++--
 .github/workflows/test.yml                     | 8 ++++----
 2 files changed, 6 insertions(+), 6 deletions(-)

diff --git a/.github/workflows/templates/configurations.yml b/.github/workflows/templates/configurations.yml
index 9f66fd9c0d..f74aefbeea 100644
--- a/.github/workflows/templates/configurations.yml
+++ b/.github/workflows/templates/configurations.yml
@@ -3,7 +3,7 @@
 # - config: a string encoded list containing the docker image name and any number of build options.
 # - The build options are `mpi`, `tbb`, `llvm`, `nomd`, and `nohpmc`.
 unit_test_configurations:
-- config: "[clang18_py312, mpi, tbb, llvm]"
+- config: "[clang18_py312, mpi, tbb]"
 - config: "[gcc14_py312]"
 - config: "[gcc14_py312, nomd]"
 - config: "[gcc14_py312, nohpmc]"
@@ -16,7 +16,7 @@ unit_test_configurations:
 # Configurations on which to run longer validation tests. Must be a subset of
 # `unit_test_configurations`
 validate_configurations:
-- config: "[clang18_py311, mpi, tbb, llvm]"
+- config: "[clang18_py311, mpi, tbb]"
 - config: "[gcc14_py312]"
 - config: "[cuda120_gcc11_py310, mpi, llvm]"
 - config: "[cuda120_gcc11_py310]"
diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml
index 68106cb303..a4e2a7a51a 100644
--- a/.github/workflows/test.yml
+++ b/.github/workflows/test.yml
@@ -65,7 +65,7 @@ jobs:
     strategy:
       matrix:
         include:
-        - {config: [clang18_py312, mpi, tbb, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [clang18_py312, mpi, tbb], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [gcc14_py312], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [gcc14_py312, nomd], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [gcc14_py312, nohpmc], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
@@ -175,7 +175,7 @@ jobs:
     strategy:
       matrix:
         include:
-        - {config: [clang18_py312, mpi, tbb, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [clang18_py312, mpi, tbb], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [gcc14_py312], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [gcc14_py312, nomd], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [gcc14_py312, nohpmc], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
@@ -236,7 +236,7 @@ jobs:
     strategy:
       matrix:
         include:
-        - {config: [clang18_py312, mpi, tbb, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [clang18_py312, mpi, tbb], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [gcc14_py312], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [gcc14_py312, nomd], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [gcc14_py312, nohpmc], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
@@ -290,7 +290,7 @@ jobs:
     strategy:
       matrix:
         include:
-        - {config: [clang18_py311, mpi, tbb, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [clang18_py311, mpi, tbb], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [gcc14_py312], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [cuda120_gcc11_py310, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: [self-hosted,GPU], test_docker_options: '--gpus=all --device /dev/nvidia0 --device /dev/nvidia1 --device /dev/nvidia-uvm --device /dev/nvidia-uvm-tools --device /dev/nvidiactl' }
         - {config: [cuda120_gcc11_py310], build_runner: [self-hosted,jetstream2,CPU], test_runner: [self-hosted,GPU], test_docker_options: '--gpus=all --device /dev/nvidia0 --device /dev/nvidia1 --device /dev/nvidia-uvm --device /dev/nvidia-uvm-tools --device /dev/nvidiactl' }

From c39148caab4b71dfbc36ea3279b73da95d9159eb Mon Sep 17 00:00:00 2001
From: "Joshua A. Anderson" <joaander@umich.edu>
Date: Mon, 3 Jun 2024 15:09:18 -0400
Subject: [PATCH 4/7] Fix numpy 2.0 errors in test_custom_force.py.

---
 hoomd/md/pytest/test_custom_force.py | 19 +++++++++++++------
 1 file changed, 13 insertions(+), 6 deletions(-)

diff --git a/hoomd/md/pytest/test_custom_force.py b/hoomd/md/pytest/test_custom_force.py
index 0807727021..ad94d7170b 100644
--- a/hoomd/md/pytest/test_custom_force.py
+++ b/hoomd/md/pytest/test_custom_force.py
@@ -126,15 +126,22 @@ def set_forces(self, timestep):
                 tags = local_snapshot.particles.tag
                 force_arrays.force[:] = np.stack((tags * 1, tags * 2, tags * 3),
                                                  axis=-1)
-                energy = local_snapshot.particles.tag * -10
+                energy = local_snapshot.particles.tag.astype(np.float64) * -10.0
                 force_arrays.potential_energy[:] = energy
+                tags_float = tags.astype(np.float64)
                 force_arrays.torque[:] = np.stack(
-                    (tags * -3, tags * -2, tags * -1), axis=-1)
+                    (tags_float * -3.0, tags_float * -2.0, tags_float * -1.0),
+                    axis=-1)
                 if force_arrays.virial.shape[0] != 0:
-                    force_arrays.virial[:] = np.stack(
-                        (tags * 1, tags * -2, tags * -3, tags * 4, tags * -5,
-                         tags * 6),
-                        axis=-1)
+                    force_arrays.virial[:] = np.stack((
+                        tags_float * 1.0,
+                        tags_float * -2.0,
+                        tags_float * -3.0,
+                        tags_float * 4.0,
+                        tags_float * -5.0,
+                        tags_float * 6.0,
+                    ),
+                                                      axis=-1)
 
 
 @pytest.mark.cpu

From cd9ddd4266c5fc0383fc378b01d9147afa423cca Mon Sep 17 00:00:00 2001
From: "Joshua A. Anderson" <joaander@umich.edu>
Date: Tue, 4 Jun 2024 07:05:51 -0400
Subject: [PATCH 5/7] Require pybind 2.12

Needed for numpy 2.0 ABI. Compatible with numpy >= 1.19
---
 BUILDING.rst                       | 6 +++---
 CMake/hoomd/HOOMDPythonSetup.cmake | 2 +-
 hoomd-config.cmake.in              | 2 +-
 3 files changed, 5 insertions(+), 5 deletions(-)

diff --git a/BUILDING.rst b/BUILDING.rst
index c21a9146ae..364554c03b 100644
--- a/BUILDING.rst
+++ b/BUILDING.rst
@@ -78,9 +78,9 @@ Install prerequisites
 **General requirements:**
 
 - C++17 capable compiler (tested with ``gcc`` 9 - 13 and ``clang`` 10 - 16)
-- Python >= 3.8
-- NumPy >= 1.17.3
-- pybind11 >= 2.6
+- Python >= 3.9
+- NumPy >= 1.19
+- pybind11 >= 2.12
 - Eigen >= 3.2
 - CMake >= 3.15
 
diff --git a/CMake/hoomd/HOOMDPythonSetup.cmake b/CMake/hoomd/HOOMDPythonSetup.cmake
index 0c0e6ba69c..780344ee34 100644
--- a/CMake/hoomd/HOOMDPythonSetup.cmake
+++ b/CMake/hoomd/HOOMDPythonSetup.cmake
@@ -12,7 +12,7 @@ if (Python_FOUND)
     endif()
 endif()
 
-find_package(pybind11 2.2 CONFIG REQUIRED)
+find_package(pybind11 2.12 CONFIG REQUIRED)
 
 if (pybind11_FOUND)
     find_package_message(pybind11 "Found pybind11: ${pybind11_DIR} ${pybind11_INCLUDE_DIR} (version ${pybind11_VERSION})" "[${pybind11_DIR}][${pybind11_INCLUDE_DIR}]")
diff --git a/hoomd-config.cmake.in b/hoomd-config.cmake.in
index 1f4fb55f4b..8f67b5dd37 100644
--- a/hoomd-config.cmake.in
+++ b/hoomd-config.cmake.in
@@ -39,7 +39,7 @@ set(PYTHON_SITE_INSTALL_DIR "@PYTHON_SITE_INSTALL_DIR@")
 # configure python
 set(Python_FIND_UNVERSIONED_NAMES "FIRST")
 find_package(Python REQUIRED COMPONENTS Interpreter Development)
-find_package(pybind11 2.2 CONFIG REQUIRED)
+find_package(pybind11 2.12 CONFIG REQUIRED)
 find_package_message(pybind11 "Found pybind11: ${pybind11_DIR} ${pybind11_INCLUDE_DIR} (version ${pybind11_VERSION})" "[${pybind11_DIR}][${pybind11_INCLUDE_DIR}]")
 
 find_package(Eigen3 3.2 CONFIG REQUIRED)

From 51b2bcb34fbfc726d2c0f67f855d1e61fa1a1058 Mon Sep 17 00:00:00 2001
From: "Joshua A. Anderson" <joaander@umich.edu>
Date: Tue, 4 Jun 2024 09:47:22 -0400
Subject: [PATCH 6/7] Run with images that have pybind11 2.12

For now, test the newer compilers on the release tag only. A future PR
will deal with the compiler warnings on the new compilers.
---
 .github/workflows/templates/configurations.yml | 16 ++++++++--------
 .github/workflows/templates/test.yml           |  8 ++++----
 .github/workflows/templates/workflow.yml       |  2 +-
 3 files changed, 13 insertions(+), 13 deletions(-)

diff --git a/.github/workflows/templates/configurations.yml b/.github/workflows/templates/configurations.yml
index f74aefbeea..a25169f674 100644
--- a/.github/workflows/templates/configurations.yml
+++ b/.github/workflows/templates/configurations.yml
@@ -3,11 +3,11 @@
 # - config: a string encoded list containing the docker image name and any number of build options.
 # - The build options are `mpi`, `tbb`, `llvm`, `nomd`, and `nohpmc`.
 unit_test_configurations:
-- config: "[clang18_py312, mpi, tbb]"
-- config: "[gcc14_py312]"
-- config: "[gcc14_py312, nomd]"
-- config: "[gcc14_py312, nohpmc]"
-- config: "[gcc14_py312, nomd, nohpmc]"
+- config: "[clang14_py312, mpi, tbb, llvm]"
+- config: "[gcc13_py312]"
+- config: "[gcc13_py312, nomd]"
+- config: "[gcc13_py312, nohpmc]"
+- config: "[gcc13_py312, nomd, nohpmc]"
 - config: "[cuda120_gcc11_py310, mpi, llvm, debug]"
 - config: "[cuda120_gcc11_py310, mpi, llvm]"
 - config: "[cuda120_gcc11_py310]"
@@ -24,14 +24,14 @@ validate_configurations:
 # Configurations to build and test only rarely, such as just before a release.
 # There should be no overlap between this list and `unit_test_configurations`
 release_test_configurations:
-- config: "[clang17_py312, mpi, llvm]"
+- config: "[clang18_py312, mpi]"
+- config: "[clang17_py312, mpi]"
 - config: "[clang16_py312, mpi, llvm]"
 - config: "[clang15_py312, mpi, llvm]"
-- config: "[clang14_py311, mpi, llvm]"
 - config: "[clang13_py310, llvm]"
 - config: "[clang12_py310, llvm]"
 - config: "[clang11_py310, llvm]"
-- config: "[gcc13_py312]"
+- config: "[gcc14_py312]"
 - config: "[gcc12_py311]"
 - config: "[gcc11_py310]"
 - config: "[gcc10_py310]"
diff --git a/.github/workflows/templates/test.yml b/.github/workflows/templates/test.yml
index ee22907e05..bf7f5e6370 100644
--- a/.github/workflows/templates/test.yml
+++ b/.github/workflows/templates/test.yml
@@ -219,10 +219,10 @@ jobs:
   build:
 << job(name='Build', run_tests=False, configurations=unit_test_configurations) >>
     steps:
-    # - name: Set Werror on recent compilers
-    #   run: |
-    #     echo "CXXFLAGS=-Werror" >> $GITHUB_ENV
-    #   if: ${{ !startsWith(matrix.config[0], 'gcc7') }}
+    - name: Set Werror on recent compilers
+      run: |
+        echo "CXXFLAGS=-Werror" >> $GITHUB_ENV
+      if: ${{ !startsWith(matrix.config[0], 'gcc7') }}
 << prepare_steps >>
 << build_steps >>
 << upload_steps >>
diff --git a/.github/workflows/templates/workflow.yml b/.github/workflows/templates/workflow.yml
index 6d828a522e..f0268bca93 100644
--- a/.github/workflows/templates/workflow.yml
+++ b/.github/workflows/templates/workflow.yml
@@ -1,5 +1,5 @@
 <% block name %><% endblock %>
-<% set container_prefix="glotzerlab/ci:2024.06.03" %>
+<% set container_prefix="glotzerlab/ci:2024.06.04" %>
 
 <% block concurrency %>
 concurrency:

From 9be61baf27100fafc06d65ff9a0f43fa346198c2 Mon Sep 17 00:00:00 2001
From: "Joshua A. Anderson" <joaander@umich.edu>
Date: Tue, 4 Jun 2024 09:55:22 -0400
Subject: [PATCH 7/7] Make workflow files.

---
 .github/workflows/release.yml                 |  2 +-
 .../workflows/templates/configurations.yml    |  6 +-
 .github/workflows/test.yml                    | 74 +++++++++----------
 3 files changed, 41 insertions(+), 41 deletions(-)

diff --git a/.github/workflows/release.yml b/.github/workflows/release.yml
index 4507612bc8..2a31363a83 100644
--- a/.github/workflows/release.yml
+++ b/.github/workflows/release.yml
@@ -36,7 +36,7 @@ jobs:
     name: Build release tarball
     runs-on: ubuntu-latest
     container:
-      image: glotzerlab/ci:2024.06.03-ubuntu20.04
+      image: glotzerlab/ci:2024.06.04-ubuntu20.04
 
     steps:
       - name: Checkout
diff --git a/.github/workflows/templates/configurations.yml b/.github/workflows/templates/configurations.yml
index a25169f674..8cf0c58a02 100644
--- a/.github/workflows/templates/configurations.yml
+++ b/.github/workflows/templates/configurations.yml
@@ -3,7 +3,7 @@
 # - config: a string encoded list containing the docker image name and any number of build options.
 # - The build options are `mpi`, `tbb`, `llvm`, `nomd`, and `nohpmc`.
 unit_test_configurations:
-- config: "[clang14_py312, mpi, tbb, llvm]"
+- config: "[clang14_py311, mpi, tbb, llvm]"
 - config: "[gcc13_py312]"
 - config: "[gcc13_py312, nomd]"
 - config: "[gcc13_py312, nohpmc]"
@@ -16,8 +16,8 @@ unit_test_configurations:
 # Configurations on which to run longer validation tests. Must be a subset of
 # `unit_test_configurations`
 validate_configurations:
-- config: "[clang18_py311, mpi, tbb]"
-- config: "[gcc14_py312]"
+- config: "[clang14_py311, mpi, tbb, llvm]"
+- config: "[gcc13_py312]"
 - config: "[cuda120_gcc11_py310, mpi, llvm]"
 - config: "[cuda120_gcc11_py310]"
 
diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml
index a4e2a7a51a..4d4ed74f3a 100644
--- a/.github/workflows/test.yml
+++ b/.github/workflows/test.yml
@@ -61,25 +61,25 @@ jobs:
     name: Build [${{ join(matrix.config, '_') }}]
     runs-on: ${{ matrix.build_runner }}
     container:
-      image: glotzerlab/ci:2024.06.03-${{ matrix.config[0] }}
+      image: glotzerlab/ci:2024.06.04-${{ matrix.config[0] }}
     strategy:
       matrix:
         include:
-        - {config: [clang18_py312, mpi, tbb], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
-        - {config: [gcc14_py312], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
-        - {config: [gcc14_py312, nomd], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
-        - {config: [gcc14_py312, nohpmc], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
-        - {config: [gcc14_py312, nomd, nohpmc], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [clang14_py311, mpi, tbb, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [gcc13_py312], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [gcc13_py312, nomd], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [gcc13_py312, nohpmc], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [gcc13_py312, nomd, nohpmc], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [cuda120_gcc11_py310, mpi, llvm, debug], build_runner: [self-hosted,jetstream2,CPU], test_runner: [self-hosted,GPU], test_docker_options: '--gpus=all --device /dev/nvidia0 --device /dev/nvidia1 --device /dev/nvidia-uvm --device /dev/nvidia-uvm-tools --device /dev/nvidiactl' }
         - {config: [cuda120_gcc11_py310, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: [self-hosted,GPU], test_docker_options: '--gpus=all --device /dev/nvidia0 --device /dev/nvidia1 --device /dev/nvidia-uvm --device /dev/nvidia-uvm-tools --device /dev/nvidiactl' }
         - {config: [cuda120_gcc11_py310], build_runner: [self-hosted,jetstream2,CPU], test_runner: [self-hosted,GPU], test_docker_options: '--gpus=all --device /dev/nvidia0 --device /dev/nvidia1 --device /dev/nvidia-uvm --device /dev/nvidia-uvm-tools --device /dev/nvidiactl' }
         - {config: [gcc9_py39], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
 
     steps:
-    # - name: Set Werror on recent compilers
-    #   run: |
-    #     echo "CXXFLAGS=-Werror" >> $GITHUB_ENV
-    #   if: ${{ !startsWith(matrix.config[0], 'gcc7') }}
+    - name: Set Werror on recent compilers
+      run: |
+        echo "CXXFLAGS=-Werror" >> $GITHUB_ENV
+      if: ${{ !startsWith(matrix.config[0], 'gcc7') }}
     - name: Clean workspace
       run: ( shopt -s dotglob nullglob; rm -rf ./* )
       shell: bash
@@ -170,16 +170,16 @@ jobs:
     needs: build
     runs-on: ${{ matrix.test_runner }}
     container:
-      image: glotzerlab/ci:2024.06.03-${{ matrix.config[0] }}
+      image: glotzerlab/ci:2024.06.04-${{ matrix.config[0] }}
       options: ${{ matrix.test_docker_options }} -e CUDA_VISIBLE_DEVICES
     strategy:
       matrix:
         include:
-        - {config: [clang18_py312, mpi, tbb], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
-        - {config: [gcc14_py312], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
-        - {config: [gcc14_py312, nomd], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
-        - {config: [gcc14_py312, nohpmc], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
-        - {config: [gcc14_py312, nomd, nohpmc], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [clang14_py311, mpi, tbb, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [gcc13_py312], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [gcc13_py312, nomd], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [gcc13_py312, nohpmc], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [gcc13_py312, nomd, nohpmc], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [cuda120_gcc11_py310, mpi, llvm, debug], build_runner: [self-hosted,jetstream2,CPU], test_runner: [self-hosted,GPU], test_docker_options: '--gpus=all --device /dev/nvidia0 --device /dev/nvidia1 --device /dev/nvidia-uvm --device /dev/nvidia-uvm-tools --device /dev/nvidiactl' }
         - {config: [cuda120_gcc11_py310, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: [self-hosted,GPU], test_docker_options: '--gpus=all --device /dev/nvidia0 --device /dev/nvidia1 --device /dev/nvidia-uvm --device /dev/nvidia-uvm-tools --device /dev/nvidiactl' }
         - {config: [cuda120_gcc11_py310], build_runner: [self-hosted,jetstream2,CPU], test_runner: [self-hosted,GPU], test_docker_options: '--gpus=all --device /dev/nvidia0 --device /dev/nvidia1 --device /dev/nvidia-uvm --device /dev/nvidia-uvm-tools --device /dev/nvidiactl' }
@@ -231,16 +231,16 @@ jobs:
     needs: build
     runs-on: ${{ matrix.test_runner }}
     container:
-      image: glotzerlab/ci:2024.06.03-${{ matrix.config[0] }}
+      image: glotzerlab/ci:2024.06.04-${{ matrix.config[0] }}
       options: ${{ matrix.test_docker_options }} -e CUDA_VISIBLE_DEVICES
     strategy:
       matrix:
         include:
-        - {config: [clang18_py312, mpi, tbb], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
-        - {config: [gcc14_py312], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
-        - {config: [gcc14_py312, nomd], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
-        - {config: [gcc14_py312, nohpmc], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
-        - {config: [gcc14_py312, nomd, nohpmc], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [clang14_py311, mpi, tbb, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [gcc13_py312], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [gcc13_py312, nomd], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [gcc13_py312, nohpmc], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [gcc13_py312, nomd, nohpmc], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [cuda120_gcc11_py310, mpi, llvm, debug], build_runner: [self-hosted,jetstream2,CPU], test_runner: [self-hosted,GPU], test_docker_options: '--gpus=all --device /dev/nvidia0 --device /dev/nvidia1 --device /dev/nvidia-uvm --device /dev/nvidia-uvm-tools --device /dev/nvidiactl' }
         - {config: [cuda120_gcc11_py310, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: [self-hosted,GPU], test_docker_options: '--gpus=all --device /dev/nvidia0 --device /dev/nvidia1 --device /dev/nvidia-uvm --device /dev/nvidia-uvm-tools --device /dev/nvidiactl' }
         - {config: [cuda120_gcc11_py310], build_runner: [self-hosted,jetstream2,CPU], test_runner: [self-hosted,GPU], test_docker_options: '--gpus=all --device /dev/nvidia0 --device /dev/nvidia1 --device /dev/nvidia-uvm --device /dev/nvidia-uvm-tools --device /dev/nvidiactl' }
@@ -285,13 +285,13 @@ jobs:
     needs: build
     runs-on: ${{ matrix.test_runner }}
     container:
-      image: glotzerlab/ci:2024.06.03-${{ matrix.config[0] }}
+      image: glotzerlab/ci:2024.06.04-${{ matrix.config[0] }}
       options: ${{ matrix.test_docker_options }} -e CUDA_VISIBLE_DEVICES
     strategy:
       matrix:
         include:
-        - {config: [clang18_py311, mpi, tbb], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
-        - {config: [gcc14_py312], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [clang14_py311, mpi, tbb, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [gcc13_py312], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [cuda120_gcc11_py310, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: [self-hosted,GPU], test_docker_options: '--gpus=all --device /dev/nvidia0 --device /dev/nvidia1 --device /dev/nvidia-uvm --device /dev/nvidia-uvm-tools --device /dev/nvidiactl' }
         - {config: [cuda120_gcc11_py310], build_runner: [self-hosted,jetstream2,CPU], test_runner: [self-hosted,GPU], test_docker_options: '--gpus=all --device /dev/nvidia0 --device /dev/nvidia1 --device /dev/nvidia-uvm --device /dev/nvidia-uvm-tools --device /dev/nvidiactl' }
 
@@ -336,18 +336,18 @@ jobs:
     name: Build [${{ join(matrix.config, '_') }}]
     runs-on: ${{ matrix.build_runner }}
     container:
-      image: glotzerlab/ci:2024.06.03-${{ matrix.config[0] }}
+      image: glotzerlab/ci:2024.06.04-${{ matrix.config[0] }}
     strategy:
       matrix:
         include:
-        - {config: [clang17_py312, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [clang18_py312, mpi], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [clang17_py312, mpi], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [clang16_py312, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [clang15_py312, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
-        - {config: [clang14_py311, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [clang13_py310, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [clang12_py310, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [clang11_py310, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
-        - {config: [gcc13_py312], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [gcc14_py312], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [gcc12_py311], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [gcc11_py310], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [gcc10_py310], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
@@ -446,19 +446,19 @@ jobs:
     needs: build_release
     runs-on: ${{ matrix.test_runner }}
     container:
-      image: glotzerlab/ci:2024.06.03-${{ matrix.config[0] }}
+      image: glotzerlab/ci:2024.06.04-${{ matrix.config[0] }}
       options: ${{ matrix.test_docker_options }} -e CUDA_VISIBLE_DEVICES
     strategy:
       matrix:
         include:
-        - {config: [clang17_py312, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [clang18_py312, mpi], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [clang17_py312, mpi], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [clang16_py312, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [clang15_py312, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
-        - {config: [clang14_py311, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [clang13_py310, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [clang12_py310, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [clang11_py310, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
-        - {config: [gcc13_py312], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [gcc14_py312], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [gcc12_py311], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [gcc11_py310], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [gcc10_py310], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
@@ -512,19 +512,19 @@ jobs:
     needs: build_release
     runs-on: ${{ matrix.test_runner }}
     container:
-      image: glotzerlab/ci:2024.06.03-${{ matrix.config[0] }}
+      image: glotzerlab/ci:2024.06.04-${{ matrix.config[0] }}
       options: ${{ matrix.test_docker_options }} -e CUDA_VISIBLE_DEVICES
     strategy:
       matrix:
         include:
-        - {config: [clang17_py312, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [clang18_py312, mpi], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [clang17_py312, mpi], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [clang16_py312, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [clang15_py312, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
-        - {config: [clang14_py311, mpi, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [clang13_py310, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [clang12_py310, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [clang11_py310, llvm], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
-        - {config: [gcc13_py312], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
+        - {config: [gcc14_py312], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [gcc12_py311], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [gcc11_py310], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }
         - {config: [gcc10_py310], build_runner: [self-hosted,jetstream2,CPU], test_runner: ubuntu-latest, test_docker_options: '' }