Require CMake 3.28

Removed explicit cmake policy setting in favor of cmake_policy(VERSION
3.28), per recommendation from CMake developers. Now behaviour is
always like our minimum required ones, except that we get warnings
from newer cmake that might have introduced new policies.

Removed various work-arounds and deploy various new features as noted
in old code.

Removed CUDA-specific version requirements now that the general
requirement exceeds them.

Refs #5014

CMakeLists.txt

@@ -31,19 +31,7 @@
 # To help us fund GROMACS development, we humbly ask that you cite
 # the research papers on the package. Check out https://www.gromacs.org.
 
-cmake_minimum_required(VERSION 3.18.4)
-
-cmake_policy(SET CMP0022 NEW)
-cmake_policy(SET CMP0048 NEW) # As of CMake 3.22, default is still "OLD"
-cmake_policy(SET CMP0068 NEW) # From CMake 3.9
-cmake_policy(SET CMP0074 NEW) # From CMake 3.12
-if(POLICY CMP0131) # From CMake 3.24
-    cmake_policy(SET CMP0131 NEW)
-endif()
-if(POLICY CMP0135) # From CMake 3.24
-    # We don't care about DOWNLOAD_EXTRACT_TIMESTAMP; prefer the new behavior
-    cmake_policy(SET CMP0135 NEW)
-endif()
+cmake_minimum_required(VERSION 3.28)
 
 # CMake modules/macros are in a subdirectory to keep this file cleaner
 # This needs to be set before project() in order to pick up toolchain files

admin/containers/scripted_gmx_docker_builds.py

@@ -977,7 +977,7 @@ def prepare_venv(version: packaging.version.Version) -> typing.Sequence[str]:
             'black' \
             'breathe' \
             'build' \
-            'cmake>=3.18.4' \
+            'cmake>=3.28' \
             'flake8>=3.7.7' \
             'furo' \
             'gcovr>=4.2' \

admin/gitlab-ci/archive.gitlab-ci.yml

@@ -152,11 +152,11 @@ archive:configure:release:
   script:
     - rm -rf gromacs*tar.gz
     - cd $BUILD_DIR
-    - cmake --build . --target gmx -- -j4 2>&1 | tee buildLogFile.log
-    - cmake --build . --target man -- -j4 2>&1 | tee manBuildLogFile.log
-    - cmake --build . --target completion -- -j4 2>&1 | tee completionBuildLogFile.log
-    - cmake --build . --target install-guide -- -j4 2>&1 | tee installGuideBuildLogFile.log
-    - cmake --build . --target package_source -- -j4 2>&1 | tee packageBuildLogFile.log
+    - $CMAKE --build . --target gmx -- -j4 2>&1 | tee buildLogFile.log
+    - $CMAKE --build . --target man -- -j4 2>&1 | tee manBuildLogFile.log
+    - $CMAKE --build . --target completion -- -j4 2>&1 | tee completionBuildLogFile.log
+    - $CMAKE --build . --target install-guide -- -j4 2>&1 | tee installGuideBuildLogFile.log
+    - $CMAKE --build . --target package_source -- -j4 2>&1 | tee packageBuildLogFile.log
     - awk '/warning/,/warning.*generated|^$/' buildLogFile.log manBuildLogFile.log
       completionBuildLogFile.log installGuideBuildLogFile.log
       packageBuildLogFile.log | grep -v "CMake" | tee buildErrors.log || true

admin/gitlab-ci/documentation.gitlab-ci.yml

@@ -23,6 +23,7 @@
   stage: configure-build
   cache: {}
   variables:
+    CMAKE: /usr/local/cmake-3.29.8/bin/cmake
     KUBERNETES_CPU_LIMIT: 1
     KUBERNETES_CPU_REQUEST: 1
     KUBERNETES_MEMORY_REQUEST: 2Gi
@@ -60,7 +61,7 @@
     # without additional hinting. Once CMakeCache.txt exists, the later stages
     # should work fine without reactivating the venv.
     - source /root/venv/py3.9/bin/activate
-    - cmake ..
+    - $CMAKE ..
       -DCMAKE_C_COMPILER_LAUNCHER=ccache -DCMAKE_CXX_COMPILER_LAUNCHER=ccache
       $CMAKE_COMPILER_SCRIPT
       $CMAKE_EXTRA_OPTIONS
@@ -94,6 +95,7 @@
   stage: release-configure
   cache: {}
   variables:
+    CMAKE: /usr/local/cmake-3.29.8/bin/cmake
     KUBERNETES_CPU_LIMIT: 1
     KUBERNETES_CPU_REQUEST: 1
     KUBERNETES_MEMORY_REQUEST: 2Gi
@@ -162,7 +164,7 @@
       fi
     - cd $RELEASE_BUILD_DIR
     - source /root/venv/py3.9/bin/activate
-    - cmake ../$RELEASE_SOURCE/
+    - $CMAKE ../$RELEASE_SOURCE/
       -DCMAKE_C_COMPILER_LAUNCHER=ccache -DCMAKE_CXX_COMPILER_LAUNCHER=ccache
       $CMAKE_COMPILER_SCRIPT
       $CMAKE_EXTRA_OPTIONS
@@ -201,9 +203,11 @@ docs:configure:
 .docs:build:
   # TODO (#3480) this should be organized more like the current documentation.py script
   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-24.04-llvm-19-docs
+  variables:
+    CMAKE: /usr/local/cmake-3.29.8/bin/cmake
   script:
     - cd $BUILD_DIR
-    - cmake --build . --target gmx -- -j8
+    - $CMAKE --build . --target gmx -- -j8
     - cd ..
   artifacts:
     name: docs-artifacts-$CI_COMMIT_REF_SLUG
@@ -242,25 +246,26 @@ docs:build:
   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-24.04-llvm-19-docs
   cache: {}
   variables:
+    CMAKE: /usr/local/cmake-3.29.8/bin/cmake
     KUBERNETES_CPU_LIMIT: 4
     KUBERNETES_CPU_REQUEST: 2
     KUBERNETES_MEMORY_REQUEST: 4Gi
   script:
     - cd $BUILD_DIR
     - |
-      cmake --build . --target sphinx-programs \
+      $CMAKE --build . --target sphinx-programs \
       -- -j4 2>setupErrors.log | tee docs/setup.log || true
     - |
       if [ ! -f setupErrors.log -o -s setupErrors.log ] ; then
         echo "Errors while setting up Sphinx dependencies."
         [ -f setupErrors.log ] && cat setupErrors.log
         exit 1
       fi
-    - cmake --build . --target doxygen-all -- -j4 2>&1 | tee docs/doxygen-all.log
-    - cmake --build . --target manual -- -j4 2>&1 | tee docs/manual/all-output.log
+    - $CMAKE --build . --target doxygen-all -- -j4 2>&1 | tee docs/doxygen-all.log
+    - $CMAKE --build . --target manual -- -j4 2>&1 | tee docs/manual/all-output.log
       | grep -i "warning" | grep -v "TeX" | grep -v "Package" || true
-    - cmake --build . --target webpage-sphinx -- -j4 2>&1 | tee webpage-sphinx.log || true
-    - cmake --build . --target webpage -- -j4 > webpage.log 2>&1 || true
+    - $CMAKE --build . --target webpage-sphinx -- -j4 2>&1 | tee webpage-sphinx.log || true
+    - $CMAKE --build . --target webpage -- -j4 > webpage.log 2>&1 || true
     - grep "WARNING:" docs/manual/all-output.log > pythonErrors.log || true
     - grep -i "error" docs/sphinx-*.log > sphinxDiagnostics.log || true
     - grep -i "warning" docs/sphinx-*.log >> sphinxDiagnostics.log || true

admin/gitlab-ci/global.gitlab-ci.yml

@@ -82,7 +82,6 @@
 # Base definition for using oneAPI.
 .use-oneapi:base:
   variables:
-    # Use the HPC clang-based compiler variants so that OpenMP is active
     CMAKE_COMPILER_SCRIPT: -DCMAKE_C_COMPILER=icx -DCMAKE_CXX_COMPILER=icpx -DCMAKE_INCLUDE_PATH=/opt/intel/oneapi/compiler/latest/linux/include/sycl;/opt/intel/oneapi/compiler/latest/include/sycl -DCMAKE_PREFIX_PATH=/opt/intel/oneapi/compiler/latest/linux
     CMAKE_EXTRA_OPTIONS: -DGMX_FFT_LIBRARY=mkl
   before_script:
@@ -98,9 +97,7 @@
 # Base definition for using oneAPI IntelLLVM
 .use-oneapi-intel-llvm:base:
   variables:
-    # We need to add -isystem directories manually for OpenMP to work.
-    # With CMake 3.26+, OpenMP_*_INCLUDE_DIR could be used instead of CMAKE_*_FLAGS
-    CMAKE_COMPILER_SCRIPT: -DCMAKE_C_COMPILER=clang -DCMAKE_CXX_COMPILER=clang++ -DCMAKE_C_FLAGS=-isystem/opt/intel/oneapi/compiler/latest/opt/compiler/include/ -DCMAKE_CXX_FLAGS=-isystem/opt/intel/oneapi/compiler/latest/opt/compiler/include/
+    CMAKE_COMPILER_SCRIPT: -DCMAKE_C_COMPILER=icx -DCMAKE_CXX_COMPILER=icpx
   before_script:
     # Necessary to override gitlab default 'set -e' which breaks Intel's setvar.sh script
     - set +e

admin/gitlab-ci/gromacs.matrix/gromacs.clang-14-cuda-12.1-release.gitlab-ci.yml

@@ -24,6 +24,7 @@ gromacs:clang-14-cuda.12.1:release:configure:
     - !reference [.rules:nightly-only-for-release, rules]
   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-22.04-llvm-14-cuda-12.1.0
   variables:
+    CMAKE: /usr/local/cmake-3.29.3/bin/cmake
     COMPILER_MAJOR_VERSION: 14
     RELEASE_BUILD_DIR: release-builds-clang
     CMAKE_BUILD_TYPE_OPTIONS: "-DCMAKE_BUILD_TYPE=RelWithAssert"
@@ -38,6 +39,7 @@ gromacs:clang-14-cuda.12.1:release:build:
   rules:
     - !reference [.rules:nightly-only-for-release, rules]
   variables:
+    CMAKE: /usr/local/cmake-3.29.3/bin/cmake
     BUILD_DIR: release-builds-clang
   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-22.04-llvm-14-cuda-12.1.0
   needs:
@@ -52,6 +54,7 @@ gromacs:clang-14-cuda.12.1:release:test:
   stage: release-tests
   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-22.04-llvm-14-cuda-12.1.0
   variables:
+    CMAKE: /usr/local/cmake-3.29.3/bin/cmake
     BUILD_DIR: release-builds-clang
     GMX_TEST_LABELS: "QuickGpuTest|SlowGpuTest"
     GMX_FORCE_UPDATE_DEFAULT_CPU: 1
@@ -72,6 +75,7 @@ gromacs:clang-14-cuda.12.1:release:regressiontest:
   stage: release-tests
   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-22.04-llvm-14-cuda-12.1.0
   variables:
+    CMAKE: /usr/local/cmake-3.29.3/bin/cmake
     BUILD_DIR: release-builds-clang
     REGRESSIONTEST_PME_RANK_NUMBER: 0
     REGRESSIONTEST_TOTAL_RANK_NUMBER: 2

admin/gitlab-ci/gromacs.matrix/gromacs.clang-14-cxx-20.gitlab-ci.yml

@@ -24,6 +24,8 @@ gromacs:clang-14:cxx-20:configure:
     - !reference [.rules:merge-requests, rules]
   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-22.04-llvm-14-cuda-12.1.0
   variables:
+    CMAKE: /usr/local/cmake-3.29.3/bin/cmake
+    CMAKE_EXTRA_OPTIONS: -DCMAKE_CXX_STANDARD=20 -DGMX_INSTALL_LEGACY_API=ON -DGMX_USE_TNG=OFF -DGMX_USE_COLVARS=NONE -DGMX_USE_PLUMED=OFF
     CMAKE_EXTRA_OPTIONS: "-DCMAKE_CXX_FLAGS='-stdlib=libc++' -DCMAKE_CXX_STANDARD=20 -DGMX_INSTALL_LEGACY_API=ON -DGMX_USE_TNG=OFF -DGMX_USE_COLVARS=NONE -DGMX_USE_PLUMED=OFF"
     COMPILER_MAJOR_VERSION: 14
 
@@ -35,6 +37,8 @@ gromacs:clang-14:cxx-20:build:
   rules:
     - !reference [.rules:merge-requests, rules]
   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-22.04-llvm-14-cuda-12.1.0
+  variables:
+    CMAKE: /usr/local/cmake-3.29.3/bin/cmake
   needs:
     - job: gromacs:clang-14:cxx-20:configure
 
@@ -45,6 +49,7 @@ gromacs:clang-14:cxx-20:test:
     - !reference [.rules:merge-requests, rules]
   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-22.04-llvm-14-cuda-12.1.0
   variables:
+    CMAKE: /usr/local/cmake-3.29.3/bin/cmake
     GMX_FORCE_UPDATE_DEFAULT_CPU: 1
   needs:
     - job: gromacs:clang-14:cxx-20:build
@@ -55,6 +60,8 @@ gromacs:clang-14:cxx-20:regressiontest:
   rules:
     - !reference [.rules:merge-requests, rules]
   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-22.04-llvm-14-cuda-12.1.0
+  variables:
+    CMAKE: /usr/local/cmake-3.29.3/bin/cmake
   needs:
     - job: gromacs:clang-14:cxx-20:build
     - job: regressiontests:prepare

admin/gitlab-ci/gromacs.matrix/gromacs.clang-14.gitlab-ci.yml

@@ -24,6 +24,7 @@ gromacs:clang-14:configure:
     - !reference [.rules:merge-requests, rules]
   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-22.04-llvm-14-cuda-12.1.0
   variables:
+    CMAKE: /usr/local/cmake-3.29.3/bin/cmake
     COMPILER_MAJOR_VERSION: 14
     CMAKE_EXTRA_OPTIONS: -DGMX_INSTALL_LEGACY_API=ON -DGMX_USE_TNG=no -DGMX_USE_COLVARS=NONE -DGMX_USE_PLUMED=OFF
 
@@ -35,6 +36,8 @@ gromacs:clang-14:build:
   rules:
     - !reference [.rules:merge-requests, rules]
   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-22.04-llvm-14-cuda-12.1.0
+  variables:
+    CMAKE: /usr/local/cmake-3.29.3/bin/cmake
   needs:
     - job: gromacs:clang-14:configure
 
@@ -45,6 +48,7 @@ gromacs:clang-14:test:
     - !reference [.rules:merge-requests, rules]
   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-22.04-llvm-14-cuda-12.1.0
   variables:
+    CMAKE: /usr/local/cmake-3.29.3/bin/cmake
     GMX_FORCE_UPDATE_DEFAULT_CPU: 1
     GMX_FILLERS_IN_LOCAL_STATE: 1
   needs:
@@ -57,6 +61,7 @@ gromacs:clang-14:regressiontest:
     - !reference [.rules:merge-requests, rules]
   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-22.04-llvm-14-cuda-12.1.0
   variables:
+    CMAKE: /usr/local/cmake-3.29.3/bin/cmake
     GMX_FILLERS_IN_LOCAL_STATE: 1
   needs:
     - job: gromacs:clang-14:build

admin/gitlab-ci/gromacs.matrix/gromacs.gcc-11-cp2k-9.1-nightly.gitlab-ci.yml

@@ -24,6 +24,7 @@ gromacs-cp2k-9.1:gcc-11-nightly:configure:
   # Dockefile generated with /admin/containers/scripted_gmx_docker_builds.py
   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-24.04-gcc-11-cp2k-9.1
   variables:
+    CMAKE: /usr/local/cmake-3.29.8/bin/cmake
     KUBERNETES_CPU_LIMIT: 1
     KUBERNETES_CPU_REQUEST: 1
     KUBERNETES_MEMORY_REQUEST: 2Gi
@@ -57,6 +58,7 @@ gromacs-cp2k-9.1:gcc-11-nightly:build-test:
     - !reference [.rules:nightly-not-for-release, rules]
   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-24.04-gcc-11-cp2k-9.1
   variables:
+    CMAKE: /usr/local/cmake-3.29.8/bin/cmake
     KUBERNETES_CPU_LIMIT: 4
     KUBERNETES_CPU_REQUEST: 4
     KUBERNETES_MEMORY_REQUEST: 8Gi

admin/gitlab-ci/gromacs.matrix/gromacs.gcc-14-cp2k-2024.2-nightly.gitlab-ci.yml

@@ -24,6 +24,7 @@ gromacs-cp2k-2024.2:gcc-14-nightly:configure:
   # Dockefile generated with /admin/containers/scripted_gmx_docker_builds.py
   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-24.04-gcc-14-cp2k-2024.2
   variables:
+    CMAKE: /usr/local/cmake-3.29.8/bin/cmake
     KUBERNETES_CPU_LIMIT: 1
     KUBERNETES_CPU_REQUEST: 1
     KUBERNETES_MEMORY_REQUEST: 2Gi
@@ -60,6 +61,7 @@ gromacs-cp2k-2024.2:gcc-14-nightly:build-test:
     - !reference [.rules:nightly-not-for-release, rules]
   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-24.04-gcc-14-cp2k-2024.2
   variables:
+    CMAKE: /usr/local/cmake-3.29.8/bin/cmake
     KUBERNETES_CPU_LIMIT: 4
     KUBERNETES_CPU_REQUEST: 4
     KUBERNETES_MEMORY_REQUEST: 8Gi

admin/gitlab-ci/lint.gitlab-ci.yml

@@ -35,7 +35,7 @@ clang-tidy:configure-schedule-cuda:
     - !reference [.rules:post-merge-acceptance, rules]
   image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-22.04-llvm-18-cuda-12.1.0
   variables:
-    CMAKE: cmake
+    CMAKE: /usr/local/cmake-3.29.8/bin/cmake
     COMPILER_MAJOR_VERSION: 18
     BUILD_DIR: build-clang-tidy
     CMAKE_EXTRA_OPTIONS: -DCLANG_TIDY=clang-tidy-$COMPILER_MAJOR_VERSION -DGMX_CLANG_TIDY=ON -DGMX_COMPILER_WARNINGS=ON -DGMX_CLANG_CUDA=ON

admin/gitlab-ci/python-gmxapi.matrix/python-gmxapi-current-gromacs-mpi.gitlab-ci.yml

@@ -18,6 +18,7 @@
   image: ${CI_REGISTRY_IMAGE}/ci-ubuntu-24.04-llvm-19
   stage: test
   variables:
+    CMAKE: /usr/local/cmake-3.30.3/bin/cmake
     COMPILER_MAJOR_VERSION: 19
     KUBERNETES_CPU_LIMIT: 4
     KUBERNETES_CPU_REQUEST: 4

admin/gitlab-ci/python-gmxapi.matrix/python-gmxapi-current-gromacs.gitlab-ci.yml

@@ -18,6 +18,7 @@
   image: ${CI_REGISTRY_IMAGE}/ci-ubuntu-22.04-llvm-14-cuda-12.1.0
   stage: test
   variables:
+    CMAKE: /usr/local/cmake-3.30.3/bin/cmake
     COMPILER_MAJOR_VERSION: 14
     KUBERNETES_CPU_LIMIT: 2
     KUBERNETES_CPU_REQUEST: 2

cmake/AdaptiveCppTest/CMakeLists.txt

@@ -31,7 +31,7 @@
 # To help us fund GROMACS development, we humbly ask that you cite
 # the research papers on the package. Check out https://www.gromacs.org.
 
-cmake_minimum_required(VERSION 3.18)
+cmake_minimum_required(VERSION 3.28)
 project(AdaptiveCppTest)
 find_package(adaptivecpp QUIET)
 if(NOT adaptivecpp_FOUND)

cmake/gmxManageCuda.cmake

@@ -31,8 +31,6 @@
 # To help us fund GROMACS development, we humbly ask that you cite
 # the research papers on the package. Check out https://www.gromacs.org.
 
-cmake_minimum_required(VERSION 3.21.2)
-
 set(GMX_GPU_CUDA ON)
 
 option(GMX_CLANG_CUDA "Use clang for CUDA" OFF)

cmake/gmxManageFFTLibraries.cmake

@@ -110,15 +110,16 @@ if(${GMX_FFT_LIBRARY} STREQUAL "FFTW3")
         message(STATUS "Found MKL at ${MKLROOT}")
     endif()
     add_library(MKL::MKL INTERFACE IMPORTED GLOBAL)
-    if(UNIX)
-        target_link_libraries(MKL::MKL INTERFACE -Wl,--start-group) #only necessary for static but doesn't hurt otherwise. cmake 3.24 has LINK_GROUP
-    endif()
     foreach(_lib mkl_core mkl_sequential mkl_intel_lp64)
         find_library(${_lib}_PATH "${_lib}" PATHS "${MKLROOT}/lib" "${MKLROOT}/lib/intel64" REQUIRED)
-        target_link_libraries(MKL::MKL INTERFACE "${${_lib}_PATH}")
+        if(NOT UNIX)
+            target_link_libraries(MKL::MKL INTERFACE "${${_lib}_PATH}")
+        endif()
     endforeach()
     if(UNIX)
-        target_link_libraries(MKL::MKL INTERFACE -Wl,--end-group -lpthread -lm -ldl)
+        # LINK_GROUP only necessary for static but doesn't hurt otherwise.
+        target_link_libraries(MKL::MKL INTERFACE "$<LINK_GROUP:RESCAN,mkl_core,mkl_sequential,mkl_intel_lp64>")
+        target_link_libraries(MKL::MKL INTERFACE -lpthread -lm -ldl)
     endif()
     target_link_directories(MKL::MKL INTERFACE "${MKLROOT}/lib" "${MKLROOT}/lib/intel64")
     target_include_directories(MKL::MKL INTERFACE "${MKLROOT}/include")

cmake/gmxManageGpuAwareMpi.cmake

@@ -43,9 +43,8 @@ function(GMX_TEST_GPU_AWARE_MPI BACKEND)
   string(TOUPPER "${BACKEND}" BACKEND_UPPER)
   string(TOLOWER "${BACKEND}" BACKEND_LOWER)
 
-  # Note: MPI_COMPILE_FLAGS is an output variable controlled by FindMPI.cmake,
-  # but is deprecated since CMake 3.10.
-  list(JOIN MPI_COMPILE_FLAGS " " CMAKE_REQUIRED_FLAGS)
+  list(JOIN MPI_CXX_COMPILE_OPTIONS " " CMAKE_REQUIRED_FLAGS)
+  list(JOIN MPI_CXX_COMPILE_DEFINITIONS " " CMAKE_REQUIRED_DEFINITIONS)
   set(CMAKE_REQUIRED_INCLUDES ${MPI_INCLUDE_PATH})
   set(CMAKE_REQUIRED_LIBRARIES ${MPI_LIBRARIES})
 

cmake/gmxManageNvshmem.cmake

@@ -55,9 +55,6 @@ if(GMX_NVSHMEM)
     target_link_libraries(nvshmem_host_lib INTERFACE CUDA::nvml CUDA::cuda_driver)
 
     add_library(nvshmem_device_lib STATIC IMPORTED GLOBAL)
-    # cuda separable compilation is properly supported from 3.20.1
-    # fix - https://gitlab.kitware.com/cmake/cmake/-/merge_requests/5962
-    cmake_minimum_required(VERSION 3.20.1)
     set_target_properties(nvshmem_device_lib PROPERTIES IMPORTED_LOCATION ${NVSHMEM_DEVICE_LIBS})
     target_include_directories(nvshmem_device_lib INTERFACE $<BUILD_INTERFACE:${NVSHMEM_INCLUDE}>)
     target_include_directories(nvshmem_device_lib INTERFACE ${CMAKE_CUDA_TOOLKIT_INCLUDE_DIRECTORIES})

cmake/gmxManageSyclAdaptiveCpp.cmake

@@ -268,19 +268,7 @@ if (GMX_ACPP_HAVE_HIP_TARGET AND GMX_GPU_FFT_ROCFFT)
     endif()
     if (ACPP_JSON AND NOT ACPP_ROCM_PATH)
         file(READ "${ACPP_JSON}" ACPP_JSON_CONTENTS)
-        if (CMAKE_VERSION VERSION_LESS 3.19)
-            # We want the value encoded by the line
-            # "default-rocm-path" : "/opt/rocm",
-            # so we use regular expressions to remove everything before
-            # and after the relevant quotation marks.
-            #
-            # Remove this when GROMACS requires CMake 3.19 or higher, as the
-            # proper JSON parsing below is more robust.
-            string(REGEX REPLACE ".*\"default-rocm-path\" *: * \"" "" ACPP_ROCM_PATH_VALUE ${ACPP_JSON_CONTENTS})
-            string(REGEX REPLACE "\",.*" "" ACPP_ROCM_PATH_VALUE ${ACPP_ROCM_PATH_VALUE})
-        else()
-            string(JSON ACPP_ROCM_PATH_VALUE GET ${ACPP_JSON_CONTENTS} "default-rocm-path")
-        endif()
+        string(JSON ACPP_ROCM_PATH_VALUE GET ${ACPP_JSON_CONTENTS} "default-rocm-path")
         set(ACPP_ROCM_PATH "${ACPP_ROCM_PATH_VALUE}" CACHE PATH "The default ROCm used by AdaptiveCpp/hipSYCL" FORCE)
     endif()
 

cmake/gmxManageSyclOneApi.cmake

@@ -41,12 +41,9 @@ if(NOT GMX_GPU_SYCL OR GMX_SYCL_ACPP OR NOT GMX_SYCL_DPCPP)
 endif()
 
 if(WIN32)
-    if(CMAKE_VERSION VERSION_LESS "3.23.0")
-        message(FATAL_ERROR "SYCL with DPC++ on Windows requires cmake 3.23 or later.")
-    endif()
     if(NOT BUILD_SHARED_LIBS)
         message(FATAL_ERROR "SYCL with DPC++ on Windows doesn't work with static libraries. Set BUILD_SHARED_LIBS=on.")
-        # Tested up to 3.23.1 and icx 2022.1. Problem is order of exe link argument order. Works if gromacs.lib
+        # Tested up to cmake 3.23.1 and icx 2022.1. Problem is order of exe link argument order. Works if gromacs.lib
         # and -fsycl both appear before -link. Not possible to change order from cmake script. cmake fix is WIP.
     endif()
 endif()