Update image names in job definitions.

Use explicit CMake versions, as appropriate.

Refs #3621

diff --git a/admin/gitlab-ci/archive.gitlab-ci.yml b/admin/gitlab-ci/archive.gitlab-ci.yml
index 7b234cc44f3be6f1b752b4ebafad9bab856de4f9..0a9dda9943a97cdbb4ee126de7a7c56deddccae3 100644 (file)
--- a/admin/gitlab-ci/archive.gitlab-ci.yml
+++ b/admin/gitlab-ci/archive.gitlab-ci.yml
@@ -5,9 +5,7 @@ prepare-release-version:
     - .variables:default
     - .rules:nightly-only-for-release
   cache: {}
-  # Docker image uploaded to dockerhub by user eriklindahl
-  # TODO: Get DockerFile for admin/dockerfiles
-  image: gromacs/ci-docs-llvm-master
+  image: gromacs/ci-ubuntu-18.04-llvm-7-docs
   stage: configure-build
   variables:
     KUBERNETES_CPU_LIMIT: 1
@@ -27,7 +25,7 @@ regressiontests:prepare:
     - .variables:default
     - .rules:merge-and-post-merge-acceptance
   cache: {}
-  image: gromacs/ci-docs-llvm-master
+  image: gromacs/ci-ubuntu-18.04-llvm-7-docs
   stage: configure-build
   variables:
     KUBERNETES_CPU_LIMIT: 1
@@ -71,7 +69,7 @@ regressiontests:package:
   cache: {}
   # Docker image uploaded to dockerhub by user eriklindahl
   # TODO: Get DockerFile for admin/dockerfiles
-  image: gromacs/ci-docs-llvm-master
+  image: gromacs/ci-ubuntu-18.04-llvm-7-docs
   stage: release-package
   variables:
     KUBERNETES_CPU_LIMIT: 1
@@ -145,7 +143,7 @@ archive:configure:release:
     - .use-ccache
     - .before_script:default
     - .docs:build
-  image: gromacs/ci-docs-llvm-master
+  image: gromacs/ci-ubuntu-18.04-llvm-7-docs
   variables:
     KUBERNETES_CPU_LIMIT: 4
     KUBERNETES_CPU_REQUEST: 2
@@ -208,7 +206,7 @@ archive:package:
     BUILD_DIR: build-package
 
 release-verify:
-  image: gromacs/ci-docs-llvm-master
+  image: gromacs/ci-ubuntu-18.04-llvm-7-docs
   stage: release-verify
   extends:
     - .variables:default

diff --git a/admin/gitlab-ci/documentation.gitlab-ci.yml b/admin/gitlab-ci/documentation.gitlab-ci.yml
index 6402d8c43b4860aa61b6330b4c16986870e379f3..62b399c20a5ed19202438565c7b46ca6d8e2c47e 100644 (file)
--- a/admin/gitlab-ci/documentation.gitlab-ci.yml
+++ b/admin/gitlab-ci/documentation.gitlab-ci.yml
@@ -6,7 +6,7 @@
     - .gromacs:base:configure
     - .before_script:default
   # TODO (#3480) this should be organized more like the current documentation.py script
-  image: gromacs/ci-docs-llvm-master
+  image: gromacs/ci-ubuntu-18.04-llvm-7-docs
   stage: configure-build
   cache: {}
   variables:
@@ -72,7 +72,7 @@
     - .before_script:default
     - .rules:nightly-only-for-release
   # TODO (#3480) this should be organized more like the current documentation.py script
-  image: gromacs/ci-docs-llvm-master
+  image: gromacs/ci-ubuntu-18.04-llvm-7-docs
   stage: release-configure
   cache: {}
   variables:
@@ -182,7 +182,7 @@ docs:configure:
 
 .docs:build:
   # TODO (#3480) this should be organized more like the current documentation.py script
-  image: gromacs/ci-docs-llvm-master
+  image: gromacs/ci-ubuntu-18.04-llvm-7-docs
   script:
     - cd $BUILD_DIR
     - cmake --build . --target gmx -- -j8
@@ -222,7 +222,7 @@ docs:build:
     - .gromacs:base:build
     - .before_script:default
   # TODO (#3480) this should be organized more like the current documentation.py script
-  image: gromacs/ci-docs-llvm-master
+  image: gromacs/ci-ubuntu-18.04-llvm-7-docs
   cache: {}
   variables:
     KUBERNETES_CPU_LIMIT: 4

diff --git a/admin/gitlab-ci/gromacs.gitlab-ci.yml b/admin/gitlab-ci/gromacs.gitlab-ci.yml
index f5c9ea23ca64588048e3af5dc8b0740ae5a40c8e..125ed9a98deb74d6f05f6070a97502330df8afa8 100644 (file)
--- a/admin/gitlab-ci/gromacs.gitlab-ci.yml
+++ b/admin/gitlab-ci/gromacs.gitlab-ci.yml
@@ -8,8 +8,9 @@ simple-build:
     - .use-clang:base
     - .rules:basic-push
   stage: pre-build
-  image: gromacs/cmake-3.15.7-llvm-9-openmpi-master
+  image: gromacs/ci-ubuntu-18.04-llvm-9
   variables:
+    CMAKE: /usr/local/cmake-3.15.7/bin/cmake
     KUBERNETES_CPU_LIMIT: 8
     KUBERNETES_CPU_REQUEST: 4
     KUBERNETES_MEMORY_REQUEST: 8Gi
@@ -22,6 +23,7 @@ simple-build:
     COMPILER_MAJOR_VERSION: 9
     BUILD_DIR: simple-build
   script:
+    - CMAKE=${CMAKE:-$(which cmake)}
     - echo $CMAKE_COMPILER_SCRIPT
     - echo $CMAKE_EXTRA_OPTIONS
     - echo $CMAKE_SIMD_OPTIONS
@@ -38,7 +40,7 @@ simple-build:
       mkdir $BUILD_DIR ;
       fi
     - cd $BUILD_DIR
-    - cmake ..
+    - $CMAKE ..
       -DCMAKE_C_COMPILER_LAUNCHER=ccache -DCMAKE_CXX_COMPILER_LAUNCHER=ccache
       $CMAKE_COMPILER_SCRIPT
       $CMAKE_EXTRA_OPTIONS
@@ -52,12 +54,12 @@ simple-build:
       2>&1 | tee cmakeLog.log
     - awk '/CMake Warning/,/^--|^$/' cmakeLog.log | tee cmakeErrors.log
     - if [ -s cmakeErrors.log  ] ; then echo "Found CMake warning while processing build"; cat cmakeErrors.log ; exit 1; fi
-    - cmake --build . -- -j$KUBERNETES_CPU_LIMIT 2>&1 | tee buildLogFile.log
-    - cmake --build . --target tests -- -j$KUBERNETES_CPU_LIMIT 2>&1 | tee testBuildLogFile.log
+    - $CMAKE --build . -- -j$KUBERNETES_CPU_LIMIT 2>&1 | tee buildLogFile.log
+    - $CMAKE --build . --target tests -- -j$KUBERNETES_CPU_LIMIT 2>&1 | tee testBuildLogFile.log
     - awk '/warning/,/warning.*generated|^$/' buildLogFile.log testBuildLogFile.log
       | grep -v "CMake" | tee buildErrors.log || true
     - grep "cannot be built" buildLogFile.log testBuildLogFile.log | tee -a buildErrors.log || true
-    - cmake --build . --target install 2>&1 | tee installBuildLogFile.log
+    - $CMAKE --build . --target install 2>&1 | tee installBuildLogFile.log
     - if [ -s buildErrors.log ] ; then echo "Found compiler warning during build"; cat buildErrors.log; exit 1; fi
     - ctest -D ExperimentalTest --output-on-failure | tee ctestLog.log || true
     - awk '/The following tests FAILED/,/^Errors while running CTest|^$/'
@@ -95,6 +97,7 @@ simple-build:
     CMAKE_BUILD_TYPE_OPTIONS: "-DCMAKE_BUILD_TYPE=Debug"
     CMAKE_GPU_OPTIONS: "-DGMX_GPU=OFF"
   script:
+    - CMAKE=${CMAKE:-$(which cmake)}
     - echo $CMAKE_COMPILER_SCRIPT
     - echo $CMAKE_EXTRA_OPTIONS
     - echo $CMAKE_SIMD_OPTIONS
@@ -110,7 +113,7 @@ simple-build:
       mkdir $BUILD_DIR ;
       fi
     - cd $BUILD_DIR
-    - cmake ..
+    - $CMAKE ..
       -DCMAKE_C_COMPILER_LAUNCHER=ccache -DCMAKE_CXX_COMPILER_LAUNCHER=ccache
       $CMAKE_COMPILER_SCRIPT
       $CMAKE_EXTRA_OPTIONS
@@ -151,6 +154,7 @@ simple-build:
     RELEASE_SOURCE: release-source-from-tarball
     RELEASE_REGRESSIONTESTS: release-regressiontests-from-tarball
   script:
+    - CMAKE=${CMAKE:-$(which cmake)}
     - VERSION=`cat version.json |
       python3 -c "import json,sys; print(json.load(sys.stdin)['version'])"`
     - if [[ $GROMACS_RELEASE != "true" ]] ; then
@@ -222,8 +226,9 @@ gromacs:gcc-7:configure:
     - .use-gcc:base
     - .use-opencl
     - .rules:merge-and-post-merge-acceptance
-  image: gromacs/cmake-3.13.0-gcc-7-amdopencl-clfft-openmpi-master
+  image: gromacs/ci-ubuntu-18.04-gcc-7
   variables:
+    CMAKE: /usr/local/cmake-3.13.0/bin/cmake
     CMAKE_SIMD_OPTIONS: "-DGMX_SIMD=AVX2_256"
     CMAKE_EXTRA_OPTIONS: "-DGMX_EXTERNAL_CLFFT=ON"
     COMPILER_MAJOR_VERSION: 7
@@ -234,8 +239,9 @@ gromacs:gcc-8-cuda-11.0:configure:
     - .use-gcc:base
     - .use-cuda
     - .rules:merge-and-post-merge-acceptance
-  image: gromacs/cmake-3.15.7-gcc-8-cuda-11.0-nvidiaopencl-clfft-openmpi-master
+  image: gromacs/ci-ubuntu-18.04-gcc-8-cuda-11.0
   variables:
+    CMAKE: /usr/local/cmake-3.15.7/bin/cmake
     CMAKE_SIMD_OPTIONS: "-DGMX_SIMD=SSE4.1"
     COMPILER_MAJOR_VERSION: 8
 
@@ -246,8 +252,9 @@ gromacs:gcc-8-cuda-11.0:configureMPI:
     - .use-cuda
     - .use-mpi
     - .rules:merge-and-post-merge-acceptance
-  image: gromacs/cmake-3.15.7-gcc-8-cuda-11.0-nvidiaopencl-clfft-openmpi-master
+  image: gromacs/ci-ubuntu-18.04-gcc-8-cuda-11.0
   variables:
+    CMAKE: /usr/local/cmake-3.15.7/bin/cmake
     CMAKE_SIMD_OPTIONS: "-DGMX_SIMD=SSE4.1"
     COMPILER_MAJOR_VERSION: 8
 
@@ -256,8 +263,9 @@ gromacs:clang-TSAN:configure:
     - .gromacs:base:configure
     - .use-clang:base
     - .rules:merge-and-post-merge-acceptance
-  image: gromacs/cmake-3.13.0-llvm-8-tsan-master
+  image: gromacs/ci-ubuntu-18.04-llvm-8-tsan
   variables:
+    CMAKE: /usr/local/cmake-3.13.0/bin/cmake
     COMPILER_MAJOR_VERSION: 8
     CMAKE_BUILD_TYPE_OPTIONS: "-DCMAKE_BUILD_TYPE=TSAN"
 
@@ -276,8 +284,9 @@ gromacs:clang-9-mpi:configure:
    - .use-clang:base
    - .use-mpi
    - .rules:merge-requests
-  image: gromacs/cmake-3.15.7-llvm-9-openmpi-master
+  image: gromacs/ci-ubuntu-18.04-llvm-9
   variables:
+    CMAKE: /usr/local/cmake-3.15.7/bin/cmake
     COMPILER_MAJOR_VERSION: 9
     CMAKE_PRECISION_OPTIONS: -DGMX_DOUBLE=ON
 
@@ -286,19 +295,21 @@ gromacs:clang-static-analyzer:configure:
     - .gromacs:base:configure
     - .use-clang:base
     - .rules:merge-requests
-  image: gromacs/cmake-3.13.0-llvm-8-tsan-master
+  image: gromacs/ci-ubuntu-18.04-llvm-8-tsan
   variables:
-     CMAKE_COMPILER_SCRIPT: "-DCMAKE_CXX_COMPILER=/usr/local/libexec/c++-analyzer -DCMAKE_C_COMPILER=gcc"
-     CMAKE_EXTRA_OPTIONS: "-DGMX_CLANG_ANALYZER=ON -DGMX_OPENMP=OFF -DGMX_USE_RDTSCP=OFF -DGMX_FFT_LIBRARY=fftpack -DGMX_DEVELOPER_BUILD=ON"
-     CMAKE_SIMD_OPTIONS: "-DGMX_SIMD=None"
+    CMAKE: /usr/local/cmake-3.13.0/bin/cmake
+    CMAKE_COMPILER_SCRIPT: "-DCMAKE_CXX_COMPILER=/usr/local/libexec/c++-analyzer -DCMAKE_C_COMPILER=gcc"
+    CMAKE_EXTRA_OPTIONS: "-DGMX_CLANG_ANALYZER=ON -DGMX_OPENMP=OFF -DGMX_USE_RDTSCP=OFF -DGMX_FFT_LIBRARY=fftpack -DGMX_DEVELOPER_BUILD=ON"
+    CMAKE_SIMD_OPTIONS: "-DGMX_SIMD=None"
 
 gromacs:clang-ASAN:configure:
   extends:
     - .gromacs:base:configure
     - .use-clang:base
     - .rules:merge-requests
-  image: gromacs/cmake-3.13.0-llvm-8-tsan-master
+  image: gromacs/ci-ubuntu-18.04-llvm-8-tsan
   variables:
+    CMAKE: /usr/local/cmake-3.13.0/bin/cmake
     COMPILER_MAJOR_VERSION: 8
     CMAKE_BUILD_TYPE_OPTIONS: "-DCMAKE_BUILD_TYPE=ASAN"
 
@@ -308,8 +319,9 @@ gromacs:oneapi-2021.1-beta09-opencl:configure:
    - .use-oneapi:base
    - .use-opencl
    - .rules:merge-requests
-  image: gromacs/cmake-3.17.2-oneapi-2021.1-beta09-master
+  image: gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1-beta09
   variables:
+    CMAKE: /usr/local/cmake-3.17.2/bin/cmake
     COMPILER_MAJOR_VERSION: 2021
 
 gromacs:oneapi-2021.1-beta09-sycl:configure:
@@ -318,8 +330,9 @@ gromacs:oneapi-2021.1-beta09-sycl:configure:
    - .use-oneapi:base
    - .use-sycl
    - .rules:merge-and-post-merge-acceptance
-  image: gromacs/cmake-3.17.2-oneapi-2021.1-beta09-master
+  image: gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1-beta09
   variables:
+    CMAKE: /usr/local/cmake-3.17.2/bin/cmake
     COMPILER_MAJOR_VERSION: 2021
 
 gromacs:clang-UBSAN:configure:
@@ -327,8 +340,9 @@ gromacs:clang-UBSAN:configure:
     - .gromacs:base:configure
     - .use-clang:base
     - .rules:merge-and-post-merge-acceptance
-  image: gromacs/cmake-3.13.0-llvm-8-tsan-master
+  image: gromacs/ci-ubuntu-18.04-llvm-8-tsan
   variables:
+    CMAKE: /usr/local/cmake-3.13.0/bin/cmake
     COMPILER_MAJOR_VERSION: 8
     CMAKE_BUILD_TYPE_OPTIONS: "-DCMAKE_BUILD_TYPE=UBSAN"
 
@@ -339,8 +353,9 @@ gromacs:gcc-8-cuda-11.0:release:configure:
     - .use-mpi
     - .use-cuda
     - .rules:nightly-only-for-release
-  image: gromacs/cmake-3.15.7-gcc-8-cuda-11.0-nvidiaopencl-clfft-openmpi-master
+  image: gromacs/ci-ubuntu-18.04-gcc-8-cuda-11.0
   variables:
+    CMAKE: /usr/local/cmake-3.15.7/bin/cmake
     COMPILER_MAJOR_VERSION: 8
     RELEASE_BUILD_DIR: release-builds-gcc
     CMAKE_EXTRA_OPTIONS: "-DGMX_BUILD_MDRUN_ONLY=ON"
@@ -357,8 +372,9 @@ gromacs:gcc-7:release:configure:
     - .use-gcc:base
     - .use-opencl
     - .rules:nightly-only-for-release
-  image: gromacs/cmake-3.13.0-gcc-7-amdopencl-clfft-openmpi-master
+  image: gromacs/ci-ubuntu-18.04-gcc-7
   variables:
+    CMAKE: /usr/local/cmake-3.13.0/bin/cmake
     COMPILER_MAJOR_VERSION: 7
     CMAKE_EXTRA_OPTIONS: "-DGMX_EXTERNAL_CLFFT=ON"
     RELEASE_BUILD_DIR: release-builds-gcc
@@ -374,8 +390,9 @@ gromacs:clang-9:release:configure:
     - .use-clang:base
     - .use-mpi
     - .rules:nightly-only-for-release
-  image: gromacs/cmake-3.15.7-llvm-9-openmpi-master
+  image: gromacs/ci-ubuntu-18.04-llvm-9
   variables:
+    CMAKE: /usr/local/cmake-3.15.7/bin/cmake
     COMPILER_MAJOR_VERSION: 9
     RELEASE_BUILD_DIR: release-builds-clang
     CMAKE_PRECISION_OPTIONS: "-DGMX_DOUBLE=ON"
@@ -403,8 +420,9 @@ gromacs:oneapi-2021.1-beta09-opencl:release:configure:
    - .use-oneapi:base
    - .use-opencl
    - .rules:nightly-only-for-release
-  image: gromacs/cmake-3.17.2-oneapi-2021.1-beta09-master
+  image: gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1-beta09
   variables:
+    CMAKE: /usr/local/cmake-3.17.2/bin/cmake
     COMPILER_MAJOR_VERSION: 2021
     RELEASE_BUILD_DIR: release-builds-oneapi
 
@@ -413,13 +431,14 @@ gromacs:oneapi-2021.1-beta09-opencl:release:configure:
 .gromacs:base:build:
   stage: build
   script:
+    - CMAKE=${CMAKE:-$(which cmake)}
     - cd $BUILD_DIR
-    - cmake --build . -- -j$KUBERNETES_CPU_LIMIT 2>&1 | tee buildLogFile.log
-    - cmake --build . --target tests -- -j$KUBERNETES_CPU_LIMIT 2>&1 | tee testBuildLogFile.log
+    - $CMAKE --build . -- -j$KUBERNETES_CPU_LIMIT 2>&1 | tee buildLogFile.log
+    - $CMAKE --build . --target tests -- -j$KUBERNETES_CPU_LIMIT 2>&1 | tee testBuildLogFile.log
     - awk '/warning/,/warning.*generated|^$/' buildLogFile.log testBuildLogFile.log
       | grep -v "CMake" | tee buildErrors.log || true
     - grep "cannot be built" buildLogFile.log testBuildLogFile.log | tee -a buildErrors.log || true
-    - cmake --build . --target install 2>&1 | tee installBuildLogFile.log
+    - $CMAKE --build . --target install 2>&1 | tee installBuildLogFile.log
     - if [ -s buildErrors.log ] ; then echo "Found compiler warning during build"; cat buildErrors.log; exit 1; fi
     - for file in `find . -mindepth 1 -name "*.o" ! -type l` ; do echo $file ; rm $file ; done 2>&1 > remove-build-objects.log
     - cd ..
@@ -432,8 +451,9 @@ gromacs:oneapi-2021.1-beta09-opencl:release:configure:
 .gromacs:static-analyzer-build:
   stage: build
   script:
+    - CMAKE=${CMAKE:-$(which cmake)}
     - cd $BUILD_DIR
-    - scan-build -o scan_html cmake --build . -- -j8 2>&1 | tee buildLogFile.log
+    - scan-build -o scan_html $CMAKE --build . -- -j8 2>&1 | tee buildLogFile.log
     - awk '/warning/,/warning.*generated|^$/' buildLogFile.log
       | grep -v "CMake" | tee buildErrors.log || true
     - grep "cannot be built" buildLogFile.log | tee -a buildErrors.log || true
@@ -451,7 +471,9 @@ gromacs:gcc-7:build:
     - .before_script:default
     - .use-ccache
     - .rules:merge-and-post-merge-acceptance
-  image: gromacs/cmake-3.13.0-gcc-7-amdopencl-clfft-openmpi-master
+  image: gromacs/ci-ubuntu-18.04-gcc-7
+  variables:
+    CMAKE: /usr/local/cmake-3.13.0/bin/cmake
   needs:
     - job: gromacs:gcc-7:configure
       artifacts: true
@@ -463,7 +485,9 @@ gromacs:gcc-8-cuda-11.0:build:
     - .before_script:default
     - .use-ccache
     - .rules:merge-and-post-merge-acceptance
-  image: gromacs/cmake-3.15.7-gcc-8-cuda-11.0-nvidiaopencl-clfft-openmpi-master
+  image: gromacs/ci-ubuntu-18.04-gcc-8-cuda-11.0
+  variables:
+    CMAKE: /usr/local/cmake-3.15.7/bin/cmake
   needs:
     - job: gromacs:gcc-8-cuda-11.0:configure
 
@@ -474,7 +498,9 @@ gromacs:gcc-8-cuda-11.0:buildMPI:
     - .before_script:default
     - .use-ccache
     - .rules:merge-and-post-merge-acceptance
-  image: gromacs/cmake-3.15.7-gcc-8-cuda-11.0-nvidiaopencl-clfft-openmpi-master
+  image: gromacs/ci-ubuntu-18.04-gcc-8-cuda-11.0
+  variables:
+    CMAKE: /usr/local/cmake-3.15.7/bin/cmake
   needs:
     - job: gromacs:gcc-8-cuda-11.0:configureMPI
 
@@ -485,7 +511,9 @@ gromacs:clang-TSAN:build:
     - .use-clang:base
     - .use-ccache
     - .rules:merge-and-post-merge-acceptance
-  image: gromacs/cmake-3.13.0-llvm-8-tsan-master
+  image: gromacs/ci-ubuntu-18.04-llvm-8-tsan
+  variables:
+    CMAKE: /usr/local/cmake-3.13.0/bin/cmake
   needs:
     - job: gromacs:clang-TSAN:configure
 
@@ -496,7 +524,9 @@ gromacs:clang-ASAN:build:
     - .use-clang:base
     - .use-ccache
     - .rules:merge-requests
-  image: gromacs/cmake-3.13.0-llvm-8-tsan-master
+  image: gromacs/ci-ubuntu-18.04-llvm-8-tsan
+  variables:
+    CMAKE: /usr/local/cmake-3.13.0/bin/cmake
   tags:
     - k8s-scilifelab
   needs:
@@ -509,7 +539,9 @@ gromacs:clang-UBSAN:build:
     - .use-clang:base
     - .use-ccache
     - .rules:merge-and-post-merge-acceptance
-  image: gromacs/cmake-3.13.0-llvm-8-tsan-master
+  image: gromacs/ci-ubuntu-18.04-llvm-8-tsan
+  variables:
+    CMAKE: /usr/local/cmake-3.13.0/bin/cmake
   tags:
     - k8s-scilifelab
   needs:
@@ -522,7 +554,9 @@ gromacs:clang-static-analyzer:build:
     - .use-clang:base
     - .use-ccache
     - .rules:merge-requests
-  image: gromacs/cmake-3.13.0-llvm-8-tsan-master
+  image: gromacs/ci-ubuntu-18.04-llvm-8-tsan
+  variables:
+    CMAKE: /usr/local/cmake-3.13.0/bin/cmake
   tags:
     - k8s-scilifelab
   needs:
@@ -546,7 +580,9 @@ gromacs:oneapi-2021.1-beta09-opencl:build:
     - .use-ccache
     - .use-oneapi:base
     - .rules:merge-requests
-  image: gromacs/cmake-3.17.2-oneapi-2021.1-beta09-master
+  image: gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1-beta09
+  variables:
+    CMAKE: /usr/local/cmake-3.17.2/bin/cmake
   needs:
     - job: gromacs:oneapi-2021.1-beta09-opencl:configure
 
@@ -557,7 +593,9 @@ gromacs:oneapi-2021.1-beta09-sycl:build:
     - .use-ccache
     - .use-oneapi:base
     - .rules:merge-and-post-merge-acceptance
-  image: gromacs/cmake-3.17.2-oneapi-2021.1-beta09-master
+  image: gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1-beta09
+  variables:
+    CMAKE: /usr/local/cmake-3.17.2/bin/cmake
   needs:
     - job: gromacs:oneapi-2021.1-beta09-sycl:configure
 
@@ -568,7 +606,9 @@ gromacs:clang-9-mpi:build:
     - .before_script:default
     - .use-ccache
     - .rules:merge-requests
-  image: gromacs/cmake-3.15.7-llvm-9-openmpi-master
+  image: gromacs/ci-ubuntu-18.04-llvm-9
+  variables:
+    CMAKE: /usr/local/cmake-3.15.7/bin/cmake
   needs:
     - job: gromacs:clang-9-mpi:configure
 
@@ -581,8 +621,9 @@ gromacs:gcc-8-cuda-11.0:release:build:
     - .rules:nightly-only-for-release
   stage: release-build
   variables:
+    CMAKE: /usr/local/cmake-3.15.7/bin/cmake
     BUILD_DIR: release-builds-gcc
-  image: gromacs/cmake-3.15.7-gcc-8-cuda-11.0-nvidiaopencl-clfft-openmpi-master
+  image: gromacs/ci-ubuntu-18.04-gcc-8-cuda-11.0
   needs:
     - job: gromacs:gcc-8-cuda-11.0:release:configure
 
@@ -595,8 +636,9 @@ gromacs:gcc-7:release:build:
     - .rules:nightly-only-for-release
   stage: release-build
   variables:
+    CMAKE: /usr/local/cmake-3.13.0/bin/cmake
     BUILD_DIR: release-builds-gcc
-  image: gromacs/cmake-3.13.0-gcc-7-amdopencl-clfft-openmpi-master
+  image: gromacs/ci-ubuntu-18.04-gcc-7
   needs:
     - job: gromacs:gcc-7:release:configure
 
@@ -609,8 +651,9 @@ gromacs:clang-9:release:build:
     - .rules:nightly-only-for-release
   stage: release-build
   variables:
+    CMAKE: /usr/local/cmake-3.15.7/bin/cmake
     BUILD_DIR: release-builds-clang
-  image: gromacs/cmake-3.15.7-llvm-9-openmpi-master
+  image: gromacs/ci-ubuntu-18.04-llvm-9
   needs:
     - job: gromacs:clang-9:release:configure
 
@@ -638,9 +681,10 @@ gromacs:oneapi-2021.1-beta09-opencl:release:build:
     - .rules:nightly-only-for-release
   stage: release-build
   variables:
+    CMAKE: /usr/local/cmake-3.17.2/bin/cmake
     BUILD_DIR: release-builds-oneapi
     COMPILER_MAJOR_VERSION: 2021
-  image: gromacs/cmake-3.17.2-oneapi-2021.1-beta09-master
+  image: gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1-beta09
   needs:
     - job: gromacs:oneapi-2021.1-beta09-opencl:release:configure
 
@@ -656,6 +700,7 @@ gromacs:oneapi-2021.1-beta09-opencl:release:build:
   variables:
     CTEST_RUN_MODE: "ExperimentalTest"
   script:
+    - CMAKE=${CMAKE:-$(which cmake)}
     - cd $BUILD_DIR
     - export UBSAN_OPTIONS=halt_on_error=1:print_stacktrace=1:suppressions=$CI_PROJECT_DIR/admin/ubsan-suppressions.txt
     # Needed to run MPI enabled code in the docker images, until we set up different users
@@ -727,8 +772,9 @@ gromacs:gcc-7:test:
   extends:
     - .gromacs:base:test
     - .rules:merge-requests
-  image: gromacs/cmake-3.13.0-gcc-7-amdopencl-clfft-openmpi-master
+  image: gromacs/ci-ubuntu-18.04-gcc-7
   variables:
+    CMAKE: /usr/local/cmake-3.13.0/bin/cmake
     KUBERNETES_EXTENDED_RESOURCE_NAME: "amd.com/gpu"
     KUBERNETES_EXTENDED_RESOURCE_LIMIT: 1
     LD_LIBRARY_PATH: "/opt/rocm-3.5.0/opencl/lib"
@@ -741,8 +787,9 @@ gromacs:gcc-8-cuda-11.0:test:
   extends:
     - .gromacs:base:test
     - .rules:merge-requests
-  image: gromacs/cmake-3.15.7-gcc-8-cuda-11.0-nvidiaopencl-clfft-openmpi-master
+  image: gromacs/ci-ubuntu-18.04-gcc-8-cuda-11.0
   variables:
+    CMAKE: /usr/local/cmake-3.15.7/bin/cmake
     KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu"
     KUBERNETES_EXTENDED_RESOURCE_LIMIT: 1
   tags:
@@ -754,8 +801,9 @@ gromacs:gcc-8-cuda-11.0:test-gpucommupd:
   extends:
     - .gromacs:base:test
     - .rules:post-merge-acceptance
-  image: gromacs/cmake-3.15.7-gcc-8-cuda-11.0-nvidiaopencl-clfft-openmpi-master
+  image: gromacs/ci-ubuntu-18.04-gcc-8-cuda-11.0
   variables:
+    CMAKE: /usr/local/cmake-3.15.7/bin/cmake
     KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu"
     KUBERNETES_EXTENDED_RESOURCE_LIMIT: 1
     GMX_GPU_DD_COMMS: 1
@@ -778,7 +826,9 @@ gromacs:clang-TSAN:test:
   extends:
     - .gromacs:base:test
     - .rules:post-merge-acceptance
-  image: gromacs/cmake-3.13.0-llvm-8-tsan-master
+  image: gromacs/ci-ubuntu-18.04-llvm-8-tsan
+  variables:
+    CMAKE: /usr/local/cmake-3.13.0/bin/cmake
   needs:
     - job: gromacs:clang-TSAN:build
 
@@ -787,8 +837,9 @@ gromacs:clang-ASAN:test:
     - .gromacs:base:test
     - .use-clang:base
     - .rules:merge-requests
-  image: gromacs/cmake-3.13.0-llvm-8-tsan-master
+  image: gromacs/ci-ubuntu-18.04-llvm-8-tsan
   variables:
+    CMAKE: /usr/local/cmake-3.13.0/bin/cmake
     CTEST_RUN_MODE: "ExperimentalMemCheck"
   tags:
     - k8s-scilifelab
@@ -800,7 +851,9 @@ gromacs:clang-UBSAN:test:
     - .gromacs:base:test
     - .use-clang:base
     - .rules:post-merge-acceptance
-  image: gromacs/cmake-3.13.0-llvm-8-tsan-master
+  image: gromacs/ci-ubuntu-18.04-llvm-8-tsan
+  variables:
+    CMAKE: /usr/local/cmake-3.13.0/bin/cmake
   tags:
     - k8s-scilifelab
   needs:
@@ -811,7 +864,9 @@ gromacs:oneapi-2021.1-beta09-opencl:test:
     - .gromacs:base:test
     - .use-oneapi:base
     - .rules:merge-requests
-  image: gromacs/cmake-3.17.2-oneapi-2021.1-beta09-master
+  image: gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1-beta09
+  variables:
+    CMAKE: /usr/local/cmake-3.17.2/bin/cmake
   needs:
     - job: gromacs:oneapi-2021.1-beta09-opencl:build
 
@@ -820,7 +875,9 @@ gromacs:oneapi-2021.1-beta09-sycl:test:
     - .gromacs:base:test
     - .use-oneapi:base
     - .rules:post-merge-acceptance
-  image: gromacs/cmake-3.17.2-oneapi-2021.1-beta09-master
+  image: gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1-beta09
+  variables:
+    CMAKE: /usr/local/cmake-3.17.2/bin/cmake
   needs:
     - job: gromacs:oneapi-2021.1-beta09-sycl:build
 
@@ -828,7 +885,9 @@ gromacs:clang-9-mpi:test:
   extends:
     - .gromacs:base:test
     - .rules:merge-requests
-  image: gromacs/cmake-3.15.7-llvm-9-openmpi-master
+  image: gromacs/ci-ubuntu-18.04-llvm-9
+  variables:
+    CMAKE: /usr/local/cmake-3.15.7/bin/cmake
   tags:
     - k8s-scilifelab
   needs:
@@ -838,8 +897,9 @@ gromacs:gcc-7:regressiontest:
   extends:
     - .gromacs:base:regressiontest
     - .rules:post-merge-acceptance
-  image: gromacs/cmake-3.13.0-gcc-7-amdopencl-clfft-openmpi-master
+  image: gromacs/ci-ubuntu-18.04-gcc-7
   variables:
+    CMAKE: /usr/local/cmake-3.13.0/bin/cmake
     KUBERNETES_EXTENDED_RESOURCE_NAME: "amd.com/gpu"
     KUBERNETES_EXTENDED_RESOURCE_LIMIT: 1
     REGRESSIONTEST_PME_RANK_NUMBER: 0
@@ -856,8 +916,9 @@ gromacs:gcc-8-cuda-11.0:regressiontest:
   extends:
     - .gromacs:base:regressiontest
     - .rules:merge-requests
-  image: gromacs/cmake-3.15.7-gcc-8-cuda-11.0-nvidiaopencl-clfft-openmpi-master
+  image: gromacs/ci-ubuntu-18.04-gcc-8-cuda-11.0
   variables:
+    CMAKE: /usr/local/cmake-3.15.7/bin/cmake
     KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu"
     KUBERNETES_EXTENDED_RESOURCE_LIMIT: 1
     REGRESSIONTEST_PME_RANK_NUMBER: 0
@@ -873,8 +934,9 @@ gromacs:gcc-8-cuda-11.0:regressiontest-gpucommupd-tMPI:
   extends:
     - .gromacs:base:regressiontest
     - .rules:post-merge-acceptance
-  image: gromacs/cmake-3.15.7-gcc-8-cuda-11.0-nvidiaopencl-clfft-openmpi-master
+  image: gromacs/ci-ubuntu-18.04-gcc-8-cuda-11.0
   variables:
+    CMAKE: /usr/local/cmake-3.15.7/bin/cmake
     KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu"
     KUBERNETES_EXTENDED_RESOURCE_LIMIT: 2
     REGRESSIONTEST_PME_RANK_NUMBER: 0
@@ -898,8 +960,9 @@ gromacs:gcc-8-cuda-11.0:regressiontest-gpucommupd-MPI:
   extends:
     - .gromacs:base:regressiontest
     - .rules:post-merge-acceptance
-  image: gromacs/cmake-3.15.7-gcc-8-cuda-11.0-nvidiaopencl-clfft-openmpi-master
+  image: gromacs/ci-ubuntu-18.04-gcc-8-cuda-11.0
   variables:
+    CMAKE: /usr/local/cmake-3.15.7/bin/cmake
     KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu"
     KUBERNETES_EXTENDED_RESOURCE_LIMIT: 2
     REGRESSIONTEST_PME_RANK_NUMBER: 0
@@ -935,7 +998,9 @@ gromacs:clang-TSAN:regressiontest:
   extends:
     - .gromacs:base:regressiontest
     - .rules:post-merge-acceptance
-  image: gromacs/cmake-3.13.0-llvm-8-tsan-master
+  image: gromacs/ci-ubuntu-18.04-llvm-8-tsan
+  variables:
+    CMAKE: /usr/local/cmake-3.13.0/bin/cmake
   tags:
     - k8s-scilifelab
   needs:
@@ -947,7 +1012,9 @@ gromacs:clang-ASAN:regressiontest:
     - .gromacs:base:regressiontest
     - .use-clang:base
     - .rules:merge-requests
-  image: gromacs/cmake-3.13.0-llvm-8-tsan-master
+  image: gromacs/ci-ubuntu-18.04-llvm-8-tsan
+  variables:
+    CMAKE: /usr/local/cmake-3.13.0/bin/cmake
   tags:
     - k8s-scilifelab
   needs:
@@ -958,8 +1025,9 @@ gromacs:clang-9:regressiontest:
   extends:
     - .gromacs:base:regressiontest
     - .rules:merge-requests
-  image: gromacs/cmake-3.15.7-llvm-9-openmpi-master
+  image: gromacs/ci-ubuntu-18.04-llvm-9
   variables:
+    CMAKE: /usr/local/cmake-3.15.7/bin/cmake
     REGRESSIONTEST_DOUBLE: "-double"
     REGRESSIONTEST_PARALLEL: "-np"
   tags:
@@ -973,7 +1041,9 @@ gromacs:oneapi-2021.1-beta09-opencl:regressiontest:
     - .gromacs:base:regressiontest
     - .use-oneapi:base
     - .rules:merge-requests
-  image: gromacs/cmake-3.17.2-oneapi-2021.1-beta09-master
+  image: gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1-beta09
+  variables:
+    CMAKE: /usr/local/cmake-3.17.2/bin/cmake
   needs:
     - job: gromacs:oneapi-2021.1-beta09-opencl:build
     - job: regressiontests:prepare
@@ -983,7 +1053,9 @@ gromacs:oneapi-2021.1-beta09-sycl:regressiontest:
     - .gromacs:base:regressiontest
     - .use-oneapi:base
     - .rules:post-merge-acceptance
-  image: gromacs/cmake-3.17.2-oneapi-2021.1-beta09-master
+  image: gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1-beta09
+  variables:
+    CMAKE: /usr/local/cmake-3.17.2/bin/cmake
   needs:
     - job: gromacs:oneapi-2021.1-beta09-sycl:build
     - job: regressiontests:prepare
@@ -993,8 +1065,9 @@ gromacs:gcc-8-cuda-11.0:release:test:
     - .gromacs:base:test
     - .rules:nightly-only-for-release
   stage: release-tests
-  image: gromacs/cmake-3.15.7-gcc-8-cuda-11.0-nvidiaopencl-clfft-openmpi-master
+  image: gromacs/ci-ubuntu-18.04-gcc-8-cuda-11.0
   variables:
+    CMAKE: /usr/local/cmake-3.15.7/bin/cmake
     KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu"
     KUBERNETES_EXTENDED_RESOURCE_LIMIT: 1
     BUILD_DIR: release-builds-gcc
@@ -1009,8 +1082,9 @@ gromacs:gcc-7:release:test:
     - .gromacs:base:test
     - .rules:nightly-only-for-release
   stage: release-tests
-  image: gromacs/cmake-3.13.0-gcc-7-amdopencl-clfft-openmpi-master
+  image: gromacs/ci-ubuntu-18.04-gcc-7
   variables:
+    CMAKE: /usr/local/cmake-3.13.0/bin/cmake
     BUILD_DIR: release-builds-gcc
     KUBERNETES_EXTENDED_RESOURCE_NAME: "amd.com/gpu"
     KUBERNETES_EXTENDED_RESOURCE_LIMIT: 1
@@ -1026,8 +1100,9 @@ gromacs:clang-9:release:test:
     - .gromacs:base:test
     - .rules:nightly-only-for-release
   stage: release-tests
-  image: gromacs/cmake-3.15.7-llvm-9-openmpi-master
+  image: gromacs/ci-ubuntu-18.04-llvm-9
   variables:
+    CMAKE: /usr/local/cmake-3.15.7/bin/cmake
     BUILD_DIR: release-builds-clang
   needs:
     - job: gromacs:clang-9:release:configure
@@ -1055,8 +1130,9 @@ gromacs:oneapi-2021.1-beta09-opencl:release:test:
     - .use-oneapi:base
     - .rules:nightly-only-for-release
   stage: release-tests
-  image: gromacs/cmake-3.17.2-oneapi-2021.1-beta09-master
+  image: gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1-beta09
   variables:
+    CMAKE: /usr/local/cmake-3.17.2/bin/cmake
     BUILD_DIR: release-builds-oneapi
   needs:
     - job: gromacs:oneapi-2021.1-beta09-opencl:release:configure
@@ -1067,8 +1143,9 @@ gromacs:gcc-7:release:regressiontest:
     - .gromacs:base:regressiontest
     - .rules:nightly-only-for-release
   stage: release-tests
-  image: gromacs/cmake-3.13.0-gcc-7-amdopencl-clfft-openmpi-master
+  image: gromacs/ci-ubuntu-18.04-gcc-7
   variables:
+    CMAKE: /usr/local/cmake-3.13.0/bin/cmake
     BUILD_DIR: release-builds-gcc
     KUBERNETES_EXTENDED_RESOURCE_NAME: "amd.com/gpu"
     KUBERNETES_EXTENDED_RESOURCE_LIMIT: 1
@@ -1084,8 +1161,9 @@ gromacs:clang-9:release:regressiontest:
     - .gromacs:base:regressiontest
     - .rules:nightly-only-for-release
   stage: release-tests
-  image: gromacs/cmake-3.15.7-llvm-9-openmpi-master
+  image: gromacs/ci-ubuntu-18.04-llvm-9
   variables:
+    CMAKE: /usr/local/cmake-3.15.7/bin/cmake
     BUILD_DIR: release-builds-clang
     REGRESSIONTEST_DOUBLE: "-double"
     REGRESSIONTEST_PARALLEL: "-np"
@@ -1120,8 +1198,9 @@ gromacs:oneapi-2021.1-beta09-opencl:release:regressiontest:
     - .use-oneapi:base
     - .rules:nightly-only-for-release
   stage: release-tests
-  image: gromacs/cmake-3.17.2-oneapi-2021.1-beta09-master
+  image: gromacs/ci-ubuntu-18.04-gcc-7-oneapi-2021.1-beta09
   variables:
+    CMAKE: /usr/local/cmake-3.17.2/bin/cmake
     BUILD_DIR: release-builds-oneapi
     REGRESSIONTEST_PME_RANK_NUMBER: 0
     REGRESSIONTEST_TOTAL_RANK_NUMBER: 2

diff --git a/admin/gitlab-ci/lint.gitlab-ci.yml b/admin/gitlab-ci/lint.gitlab-ci.yml
index 95c0719d0e3571ae2a5088b578621348b4309664..325248ef53f85729b2fbe334b1ee5fc639e7fcb3 100644 (file)
--- a/admin/gitlab-ci/lint.gitlab-ci.yml
+++ b/admin/gitlab-ci/lint.gitlab-ci.yml
@@ -5,8 +5,9 @@ clang-tidy:configure-push:
     - .gromacs:base:configure
     - .use-clang:base
     - .rules:basic-push
-  image: gromacs/cmake-3.15.7-llvm-9-openmpi-master
+  image: gromacs/ci-ubuntu-18.04-llvm-9
   variables:
+    CMAKE: /usr/local/cmake-3.15.7/bin/cmake
     COMPILER_MAJOR_VERSION: 9
     BUILD_DIR: build-clang-tidy
     CMAKE_EXTRA_OPTIONS: -DCLANG_TIDY=clang-tidy-$COMPILER_MAJOR_VERSION -DGMX_CLANG_TIDY=ON -DGMX_COMPILER_WARNINGS=ON -DCMAKE_EXPORT_COMPILE_COMMANDS=ON
@@ -16,8 +17,9 @@ clang-tidy:configure-schedule:
     - .gromacs:base:configure
     - .use-clang:base
     - .rules:nightly-not-for-release
-  image: gromacs/cmake-3.15.7-llvm-9-openmpi-master
+  image: gromacs/ci-ubuntu-18.04-llvm-9
   variables:
+    CMAKE: /usr/local/cmake-3.15.7/bin/cmake
     COMPILER_MAJOR_VERSION: 9
     BUILD_DIR: build-clang-tidy
     CMAKE_EXTRA_OPTIONS: -DCLANG_TIDY=clang-tidy-$COMPILER_MAJOR_VERSION -DGMX_CLANG_TIDY=ON -DGMX_COMPILER_WARNINGS=ON
@@ -29,10 +31,11 @@ clang-tidy:build:
     - .variables:default
     - .rules:nightly-not-for-release
   stage: source-check
-  image: gromacs/cmake-3.15.7-llvm-9-openmpi-master
+  image: gromacs/ci-ubuntu-18.04-llvm-9
   needs:
     - job: clang-tidy:configure-schedule
   variables:
+    CMAKE: /usr/local/cmake-3.15.7/bin/cmake
     BUILD_DIR: build-clang-tidy
 
 clang-tidy:test:
@@ -41,10 +44,11 @@ clang-tidy:test:
     - .variables:default
     - .rules:basic-push
   stage: source-check
-  image: gromacs/cmake-3.15.7-llvm-9-openmpi-master
+  image: gromacs/ci-ubuntu-18.04-llvm-9
   needs:
     - job: clang-tidy:configure-push
   variables:
+    CMAKE: /usr/local/cmake-3.15.7/bin/cmake
     COMPILER_MAJOR_VERSION: 9
     BUILD_DIR: build-clang-tidy
     EXTRA_INSTALLS: clang-tidy-$COMPILER_MAJOR_VERSION
@@ -77,7 +81,7 @@ clang-format:
     - .rules:basic-push
   cache: {}
   stage: pre-build
-  image: gromacs/ci-docs-llvm-master
+  image: gromacs/ci-ubuntu-18.04-llvm-7-docs
   variables:
     COMPILER_MAJOR_VERSION: 7
     KUBERNETES_CPU_LIMIT: 1
@@ -107,7 +111,7 @@ copyright-check:
     - .rules:basic-push
   cache: {}
   stage: pre-build
-  image: gromacs/ci-docs-llvm-master
+  image: gromacs/ci-ubuntu-18.04-llvm-7-docs
   variables:
     KUBERNETES_CPU_LIMIT: 1
     KUBERNETES_CPU_REQUEST: 1
@@ -152,8 +156,9 @@ check-source:
     KUBERNETES_MEMORY_REQUEST: 2Gi
     BUILD_DIR: build-docs
   script:
+    - CMAKE=${CMAKE:-$(which cmake)}
     - cd $BUILD_DIR
-    - cmake --build . --target check-source
+    - $CMAKE --build . --target check-source
     - awk '/warning.*include style.*order/,/You can use.*rst|^$/' docs/doxygen/check-source.log | tee doxygenError.txt || true
     - awk '/warning:.*includes/,/unnecessarily|^$/' docs/doxygen/check-source.log | tee -a doxygenError.txt || true
     - awk '/Traceback/,/.*rror|^$/' docs/doxygen/doxygen*log docs/doxygen/check-source.log | tee -a doxygenError.txt || true

diff --git a/admin/gitlab-ci/python-gmxapi.gitlab-ci.yml b/admin/gitlab-ci/python-gmxapi.gitlab-ci.yml
index b67387838b075788360c8d404486d922cad24990..dc4ed5079664088e0d37f84562913e7e8a8b7244 100644 (file)
--- a/admin/gitlab-ci/python-gmxapi.gitlab-ci.yml
+++ b/admin/gitlab-ci/python-gmxapi.gitlab-ci.yml
@@ -78,7 +78,7 @@ gmxapi-0.1:clang-8:py-3.8.2:
   extends:
     - .variables:default
     - .use-clang:base
-  image: gromacs/cmake-3.13.0-gcc-7-amdopencl-clfft-openmpi-master
+  image: gromacs/ci-ubuntu-18.04-gcc-7
   stage: test
   variables:
     KUBERNETES_CPU_LIMIT: 2

diff --git a/admin/gitlab-ci/sample_restraint.gitlab-ci.yml b/admin/gitlab-ci/sample_restraint.gitlab-ci.yml
index 56833f77ea4eb3f4964e190cb92548f5ac1a714b..b20cf11b149a1264e06f865a670bff7cd33c01c8 100644 (file)
--- a/admin/gitlab-ci/sample_restraint.gitlab-ci.yml
+++ b/admin/gitlab-ci/sample_restraint.gitlab-ci.yml
@@ -3,7 +3,7 @@
   extends:
     - .variables:default
     - .use-clang:base
-  image: gromacs/cmake-3.13.0-gcc-7-amdopencl-clfft-openmpi-master
+  image: gromacs/ci-ubuntu-18.04-gcc-7
   stage: test
   variables:
     KUBERNETES_CPU_LIMIT: 2

diff --git a/docs/dev-manual/gitlab.rst b/docs/dev-manual/gitlab.rst
index e705675eb202fd9e2f93de27e038c02ef5011c37..3c5dda31de7c3e62440304fa019da8f8c61eac44 100644 (file)
--- a/docs/dev-manual/gitlab.rst
+++ b/docs/dev-manual/gitlab.rst
@@ -214,6 +214,16 @@ Other important variable keys are as follows.
         Integer version number provided by toolchain mix-in for convenience and
         internal use.
 
+    CMAKE
+        ``gromacs/ci-...`` Docker images built after October 2020 have several
+        versions of CMake installed. The most recent version of CMake in the
+        container will be appear first in ``PATH``. To allow individual jobs to
+        use specific versions of CMake, please write the job *script* sections
+        using ``$CMAKE`` instead of ``cmake`` and begin the *script* section with
+        a line such as ``- CMAKE=${CMAKE:-$(which cmake)}``. Specify a CMake
+        version by setting the *CMAKE* variable to the full executable path for
+        the CMake version you would like to use. See also :doc:`containers`.
+
     CMAKE_COMPILER_SCRIPT
         CMake command line options for a tool chain. A definition is provided by
         the mix-in toolchain definitions (e.g. ``.use-gcc8``) to be appended to