Release/v6.7.0

.clang-format

@@ -140,7 +140,6 @@ SpacesInConditionalStatement        : false
 SpacesInContainerLiterals           : true
 SpacesInParentheses                 : false
 SpacesInSquareBrackets              : false
-SpaceBeforeSquareBrackets           : false
 Standard                            : c++14
 TabWidth: 2
 UseCRLF : false

.github/workflows/double-precision.yml

@@ -4,6 +4,12 @@ name: double precision build and test with GCC+TPLs (no GPUs)
 on:
   push:
   pull_request:
+  merge_group:
+  workflow_dispatch:
+
+concurrency:
+  group: ${{ github.workflow }}-${{ github.ref }}
+  cancel-in-progress: true
 
 jobs:
   build_and_test:
@@ -25,10 +31,18 @@ jobs:
         with:
           indexsize: ${{ matrix.indexsize }}
           precision: ${{ matrix.precision }}
-      - name: Archive files from failed build
-        uses: actions/upload-artifact@v2.2.4
+      - name: Archive build files from failed build
+        uses: actions/upload-artifact@v3
         if: failure()
         with:
           name: build_files
           path: |
             ${{ github.workspace }}/test/build_*
+            !${{ github.workspace }}/test/build_*/Testing/output
+      - name: Archive output files from failed build
+        uses: actions/upload-artifact@v3
+        if: failure()
+        with:
+          name: output_files
+          path: |
+            ${{ github.workspace }}/test/build_*/Testing/

.github/workflows/extended-precision.yml

@@ -3,6 +3,12 @@ name: extended precision build and test with GCC+TPLs (no GPUs)
 
 on:
   pull_request:
+  merge_group:
+  workflow_dispatch:
+
+concurrency:
+  group: ${{ github.workflow }}-${{ github.ref }}
+  cancel-in-progress: true
 
 jobs:
   build_and_test:
@@ -24,10 +30,18 @@ jobs:
         with:
           indexsize: ${{ matrix.indexsize }}
           precision: ${{ matrix.precision }}
-      - name: Archive files from failed build
-        uses: actions/upload-artifact@v2.2.4
+      - name: Archive build files from failed build
+        uses: actions/upload-artifact@v3
         if: failure()
         with:
           name: build_files
           path: |
             ${{ github.workspace }}/test/build_*
+            !${{ github.workspace }}/test/build_*/Testing/output
+      - name: Archive output files from failed build
+        uses: actions/upload-artifact@v3
+        if: failure()
+        with:
+          name: output_files
+          path: |
+            ${{ github.workspace }}/test/build_*/Testing/

.github/workflows/macos-latest.yml

@@ -2,6 +2,12 @@ name: MacOS short test
 
 on:
   pull_request:
+  merge_group:
+  workflow_dispatch:
+
+concurrency:
+  group: ${{ github.workflow }}-${{ github.ref }}
+  cancel-in-progress: true
 
 env:
   # Customize the CMake build type here (Release, Debug, RelWithDebInfo, etc.)

.github/workflows/single-precision.yml

@@ -3,6 +3,12 @@ name: single precision build and test with GCC+TPLs (no GPUs)
 
 on:
   pull_request:
+  merge_group:
+  workflow_dispatch:
+
+concurrency:
+  group: ${{ github.workflow }}-${{ github.ref }}
+  cancel-in-progress: true
 
 jobs:
   build_and_test:
@@ -24,10 +30,18 @@ jobs:
         with:
           indexsize: ${{ matrix.indexsize }}
           precision: ${{ matrix.precision }}
-      - name: Archive files from failed build
-        uses: actions/upload-artifact@v2.2.4
+      - name: Archive build files from failed build
+        uses: actions/upload-artifact@v3
         if: failure()
         with:
           name: build_files
           path: |
             ${{ github.workspace }}/test/build_*
+            !${{ github.workspace }}/test/build_*/Testing/output
+      - name: Archive output files from failed build
+        uses: actions/upload-artifact@v3
+        if: failure()
+        with:
+          name: output_files
+          path: |
+            ${{ github.workspace }}/test/build_*/Testing/

.github/workflows/spack-develop.yml

@@ -3,10 +3,15 @@ name: spack@develop build and test with GCC+TPLs (no GPUs)
 
 on:
   pull_request:
+  merge_group:
   workflow_dispatch:
   schedule:
   - cron: '00 22 * * *'
 
+concurrency:
+  group: ${{ github.workflow }}-${{ github.ref }}
+  cancel-in-progress: true
+
 jobs:
   build_and_test:
     runs-on: ubuntu-latest
@@ -27,10 +32,18 @@ jobs:
         with:
           indexsize: ${{ matrix.indexsize }}
           precision: ${{ matrix.precision }}
-      - name: Archive files from failed build
-        uses: actions/upload-artifact@v2.2.4
+      - name: Archive build files from failed build
+        uses: actions/upload-artifact@v3
         if: failure()
         with:
           name: build_files
           path: |
             ${{ github.workspace }}/test/build_*
+            !${{ github.workspace }}/test/build_*/Testing/output
+      - name: Archive output files from failed build
+        uses: actions/upload-artifact@v3
+        if: failure()
+        with:
+          name: output_files
+          path: |
+            ${{ github.workspace }}/test/build_*/Testing/

.github/workflows/ubuntu-clang-latest.yml

@@ -2,6 +2,12 @@ name: Ubuntu (clang) short test
 
 on:
   pull_request:
+  merge_group:
+  workflow_dispatch:
+
+concurrency:
+  group: ${{ github.workflow }}-${{ github.ref }}
+  cancel-in-progress: true
 
 env:
   # Customize the CMake build type here (Release, Debug, RelWithDebInfo, etc.)

.github/workflows/windows-latest-mingw.yml

@@ -2,6 +2,12 @@ name: Windows (mingw) short test
 
 on:
   pull_request:
+  merge_group:
+  workflow_dispatch:
+
+concurrency:
+  group: ${{ github.workflow }}-${{ github.ref }}
+  cancel-in-progress: true
 
 env:
   # Customize the CMake build type here (Release, Debug, RelWithDebInfo, etc.)
@@ -21,7 +27,7 @@ jobs:
     - name: Configure CMake
       # Configure CMake in a 'build' subdirectory. `CMAKE_BUILD_TYPE` is only required if you are using a single-configuration generator such as make.
       # See https://cmake.org/cmake/help/latest/variable/CMAKE_BUILD_TYPE.html?highlight=cmake_build_type
-      run: cmake -G "MinGW Makefiles" -B ${{github.workspace}}/build -DCMAKE_BUILD_TYPE=${{env.BUILD_TYPE}}
+      run: cmake -G "MinGW Makefiles" -B ${{github.workspace}}/build -DCMAKE_BUILD_TYPE=${{env.BUILD_TYPE}} -DSUNDIALS_BUILD_WITH_PROFILING=ON -DSUNDIALS_LOGGING_LEVEL=2 -DSUNDIALS_TEST_UNITTESTS=OFF -DEXAMPLES_ENABLE_CXX=ON
 
     - name: Build
       # Build your program with the given configuration

.github/workflows/windows-latest.yml

@@ -2,6 +2,12 @@ name: Windows short test
 
 on:
   pull_request:
+  merge_group:
+  workflow_dispatch:
+
+concurrency:
+  group: ${{ github.workflow }}-${{ github.ref }}
+  cancel-in-progress: true
 
 env:
   # Customize the CMake build type here (Release, Debug, RelWithDebInfo, etc.)
@@ -17,7 +23,7 @@ jobs:
     - name: Configure CMake
       # Configure CMake in a 'build' subdirectory. `CMAKE_BUILD_TYPE` is only required if you are using a single-configuration generator such as make.
       # See https://cmake.org/cmake/help/latest/variable/CMAKE_BUILD_TYPE.html?highlight=cmake_build_type
-      run: cmake -B ${{github.workspace}}/build -DCMAKE_BUILD_TYPE=${{env.BUILD_TYPE}} -DBUILD_STATIC_LIBS=OFF
+      run: cmake -B ${{github.workspace}}/build -DCMAKE_BUILD_TYPE=${{env.BUILD_TYPE}} -DBUILD_STATIC_LIBS=OFF -DSUNDIALS_BUILD_WITH_PROFILING=ON -DSUNDIALS_LOGGING_LEVEL=2 -DSUNDIALS_TEST_UNITTESTS=ON -DEXAMPLES_ENABLE_CXX=ON
 
     - name: Build
       # Build your program with the given configuration

.gitlab/build_and_test.sh

@@ -188,11 +188,23 @@ then
     $cmake_exe --version
 
     # configure
-    $cmake_exe \
-        -C "${hostconfig_path}" \
-        -DCMAKE_INSTALL_PREFIX=${install_dir} \
-        "${project_dir}"
-
+    if [[ "${CI_COMMIT_BRANCH}" == "main" ]]
+    then
+        # redirect caliper files to release directory
+        sundials_version=$(cd ${project_dir}; git describe --abbrev=0)
+        $cmake_exe \
+            -C "${hostconfig_path}" \
+            -DCMAKE_INSTALL_PREFIX=${install_dir} \
+            -DSUNDIALS_CALIPER_OUTPUT_DIR="${CALIPER_DIR}/Release/${hostname}/${sundials_version}" \
+            "${project_dir}"
+
+    else
+        $cmake_exe \
+            -C "${hostconfig_path}" \
+            -DCMAKE_INSTALL_PREFIX=${install_dir} \
+            "${project_dir}"
+    fi
+
     # build
     VERBOSE_BUILD=${VERBOSE_BUILD:-"OFF"}
     if [[ "${VERBOSE_BUILD}" == "ON" ]]; then

.gitlab/lassen-jobs.yml

@@ -38,7 +38,8 @@ lassen_gcc_cuda_bench:
     matrix:
       - COMPILER_SPEC: gcc@8.3.1
         CUDA_SPEC: [cuda@11.8.0]
+        CALIPER_DIR: /usr/workspace/sundials/califiles
   variables:
-    SPEC: "%${COMPILER_SPEC} cstd=99 cxxstd=14 build_type=Release precision=double scheduler=lsf caliper-dir=/usr/workspace/sundials/califiles ~int64 +benchmarks+profiling+caliper+adiak+mpi+openmp+cuda+raja cuda_arch=70 ^raja+cuda~openmp~examples~exercises cuda_arch=70 ^caliper+adiak+cuda cuda_arch=70 ^${CUDA_SPEC}+allow-unsupported-compilers"
+    SPEC: "%${COMPILER_SPEC} cstd=99 cxxstd=14 build_type=Release precision=double scheduler=lsf caliper-dir=${CALIPER_DIR} ~int64 +benchmarks+profiling+caliper+adiak+mpi+openmp+cuda+raja cuda_arch=70 ^raja+cuda~openmp~examples~exercises cuda_arch=70 ^caliper+adiak+cuda cuda_arch=70 ^${CUDA_SPEC}+allow-unsupported-compilers"
   extends: .lassen_build_and_bench
 

.readthedocs.yaml

@@ -10,6 +10,8 @@ build:
   os: ubuntu-20.04
   tools:
     python: "3.9"
+  apt_packages:
+    - graphviz
 
 # Build documentation in the doc/ directory with Sphinx
 sphinx:

CHANGELOG.md

@@ -1,5 +1,71 @@
 # SUNDIALS Changelog
 
+## Changes to SUNDIALS in release 6.7.0
+
+Added the `SUNAdaptController` base class, ported ARKODE's internal
+implementations of time step controllers into implementations of this class,
+and updated ARKODE to use these objects instead of its own implementations.
+Added `ARKStepSetAdaptController` and `ERKStepSetAdaptController` routines
+so that users can modify controller parameters, or even provide custom
+implementations.
+
+Added the routines `ARKStepSetAdaptivityAdjustment` and
+`ERKStepSetAdaptivityAdjustment`, that allow users to adjust the
+value for the method order supplied to the temporal adaptivity controllers.
+The ARKODE default for this adjustment has been -1 since its initial
+release, but for some applications a value of 0 is more appropriate.
+Users who notice that their simulations encounter a large number of
+temporal error test failures may want to experiment with adjusting this value.
+
+Added the third order ERK method `ARKODE_SHU_OSHER_3_2_3`, the fourth order
+ERK method `ARKODE_SOFRONIOU_SPALETTA_5_3_4`, the sixth order ERK method
+`ARKODE_VERNER_9_5_6`, the seventh order ERK method `ARKODE_VERNER_10_6_7`,
+the eighth order ERK method `ARKODE_VERNER_13_7_8`, and the ninth order ERK
+method `ARKODE_VERNER_16_8_9`.
+
+ARKStep, ERKStep, MRIStep, and SPRKStep were updated to remove a potentially
+unnecessary right-hand side evaluation at the end of an integration. ARKStep was
+additionally updated to remove extra right-hand side evaluations when using an
+explicit method or an implicit method with an explicit first stage.
+
+Added Fortran support for the LAPACK dense `SUNLinearSolver` implementation.
+
+Improved computational complexity of `SUNMatScaleAddI_Sparse` from `O(M*N)` to
+`O(NNZ)`.
+
+Changed the `SUNProfiler` so that it does not rely on `MPI_WTime` in any case.
+This fixes [GitHub Issue #312](https://github.com/LLNL/sundials/issues/312).
+
+Fixed a regression introduced by the stop time bug fix in v6.6.1 where ARKODE,
+CVODE, CVODES, IDA, and IDAS would return at the stop time rather than the
+requested output time if the stop time was reached in the same step in which the
+output time was passed.
+
+Fixed a bug in ERKStep where methods with `c[s-1] = 1` but `a[s-1,j] != b[j]`
+were incorrectly treated as having the first same as last (FSAL) property.
+
+Fixed a bug in ARKODE where `ARKStepSetInterpolateStopTime` would return an
+interpolated solution at the stop time in some cases when interpolation was
+disabled.
+
+Fixed a bug in `MRIStepCoupling_Write` where explicit coupling tables were not
+written to the output file pointer.
+
+Fixed a bug in `ARKStepSetTableNum` wherein it did not recognize
+`ARKODE_ARK2_ERK_3_1_2` and `ARKODE_ARK2_DIRK_3_1_2` as a valid additive
+Runge--Kutta Butcher table pair.
+
+The `MRIStepInnerStepper` class in MRIStep was updated to make supplying an
+`MRIStepInnerFullRhsFn` optional.
+
+Fixed scaling bug in `SUNMatScaleAddI_Sparse` for non-square matrices.
+
+Fixed missing soversions in some `SUNLinearSolver` and `SUNNonlinearSolver`
+CMake targets.
+
+Renamed some internal types in CVODES and IDAS to allow both packages to be
+built together in the same binary.
+
 ## Changes to SUNDIALS in release 6.6.2
 
 Fixed the build system support for MAGMA when using a NVIDIA HPC SDK installation of CUDA
@@ -14,8 +80,9 @@ object.
 
 Fixed a bug in ARKODE, CVODE, CVODES, IDA, and IDAS where the stop time may not
 be cleared when using normal mode if the requested output time is the same as
-the stop time. Additionally, with ARKODE, CVODE, and CVODES an unnecessary
-interpolation of the solution at the stop time may occur in this case.
+the stop time. Additionally, with ARKODE, CVODE, and CVODES this fix removes an
+unnecessary interpolation of the solution at the stop time that could occur in
+this case.
 
 ## Changes to SUNDIALS in release 6.6.0