Revert "Make everything run on Gitlab infrastructure."

This reverts commit af3b2782f26d6bde2975a581de7b3fc8bf69b954.

diff --git a/.gitlab-ci.yml b/.gitlab-ci.yml
index 47caa4ebe376d814436fee6311e284a35afe6965..ee10cc660d7d4d405288c21090725d6811f9588a 100644 (file)
--- a/.gitlab-ci.yml
+++ b/.gitlab-ci.yml
@@ -42,11 +42,11 @@ include:
   - local: '/admin/gitlab-ci/global.gitlab-ci.yml'
   - local: '/admin/gitlab-ci/rules.gitlab-ci.yml'
   # gmxapi Python package.
-  # - local: '/admin/gitlab-ci/python-gmxapi.gitlab-ci.yml'
+  - local: '/admin/gitlab-ci/python-gmxapi.gitlab-ci.yml'
   # Further API validation and usability of sample gmxapi extension package.
-  # - local: '/admin/gitlab-ci/sample_restraint.gitlab-ci.yml'
+  - local: '/admin/gitlab-ci/sample_restraint.gitlab-ci.yml'
   # API regression testing using sample gmxapi extension package.
-  # - local: '/admin/gitlab-ci/sample_restraint-regression.gitlab-ci.yml'
+  - local: '/admin/gitlab-ci/sample_restraint-regression.gitlab-ci.yml'
   # Build and test GROMACS in a variety of environments and configurations.
   # To do: Consider expanding matrix here to improve transparency and reduce file sizes.
   # E.g. '/admin/gitlab-ci/matrix/clang-8.gitlab-ci.yml

diff --git a/admin/gitlab-ci/documentation.gitlab-ci.yml b/admin/gitlab-ci/documentation.gitlab-ci.yml
index 18d55cfab7660c430e80b67e50f635b89787d1a1..0e3459d9ef3ebb8866aab60064a4794f7c27f235 100644 (file)
--- a/admin/gitlab-ci/documentation.gitlab-ci.yml
+++ b/admin/gitlab-ci/documentation.gitlab-ci.yml
@@ -274,6 +274,7 @@ webpage:configure:
     - .rules:nightly-only-for-release
   cache: {}
   tags:
+    - k8s-scilifelab
   dependencies:
     - archive:package
     - regressiontests:package
@@ -292,6 +293,7 @@ webpage:dependencies:
     - .rules:nightly-only-for-release
   stage: release-build
   tags:
+    - k8s-scilifelab
   needs:
     - job: webpage:configure
   variables:
@@ -303,6 +305,7 @@ webpage:build:release:
     - .rules:nightly-only-for-release
   stage: release-prepare-deploy
   tags:
+    - k8s-scilifelab
   dependencies:
     - webpage:dependencies
     - webpage:configure

diff --git a/admin/gitlab-ci/gromacs.gitlab-ci.yml b/admin/gitlab-ci/gromacs.gitlab-ci.yml
index 56d43c9856e6a1b1f83f4b56acb720e5c1af6cd9..bcd736081b68bd14e3050195a92ae55d0244e1d4 100644 (file)
--- a/admin/gitlab-ci/gromacs.gitlab-ci.yml
+++ b/admin/gitlab-ci/gromacs.gitlab-ci.yml
@@ -257,37 +257,37 @@ gromacs:clang-8:configure:
   variables:
     COMPILER_MAJOR_VERSION: 8
 
-    #gromacs:clang-9-mpi:configure:
-    #  extends:
-    #   - .gromacs:base:configure
-    #   - .use-clang:base
-    #   - .use-mpi
-    #   - .rules:merge-requests
-    #  image: gromacs/cmake-3.15.7-llvm-9-openmpi:master
-    #  variables:
-    #    COMPILER_MAJOR_VERSION: 9
-    #    CMAKE_PRECISION_OPTIONS: -DGMX_DOUBLE=ON
-
-    #gromacs:clang-static-analyzer:configure:
-    #  extends:
-    #    - .gromacs:base:configure
-    #    - .use-clang:base
-    #    - .rules:merge-requests
-    #  image: gromacs/cmake-3.13.0-llvm-8-tsan:master
-    #  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"
-
-     #gromacs:clang-ASAN:configure:
-     #  extends:
-     #    - .gromacs:base:configure
-     #    - .use-clang:base
-     #    - .rules:merge-requests
-     #  image: gromacs/cmake-3.13.0-llvm-8-tsan:master
-     #  variables:
-     #    COMPILER_MAJOR_VERSION: 8
-     #    CMAKE_BUILD_TYPE_OPTIONS: "-DCMAKE_BUILD_TYPE=ASAN"
+gromacs:clang-9-mpi:configure:
+  extends:
+   - .gromacs:base:configure
+   - .use-clang:base
+   - .use-mpi
+   - .rules:merge-requests
+  image: gromacs/cmake-3.15.7-llvm-9-openmpi:master
+  variables:
+    COMPILER_MAJOR_VERSION: 9
+    CMAKE_PRECISION_OPTIONS: -DGMX_DOUBLE=ON
+
+gromacs:clang-static-analyzer:configure:
+  extends:
+    - .gromacs:base:configure
+    - .use-clang:base
+    - .rules:merge-requests
+  image: gromacs/cmake-3.13.0-llvm-8-tsan:master
+  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"
+
+gromacs:clang-ASAN:configure:
+  extends:
+    - .gromacs:base:configure
+    - .use-clang:base
+    - .rules:merge-requests
+  image: gromacs/cmake-3.13.0-llvm-8-tsan:master
+  variables:
+    COMPILER_MAJOR_VERSION: 8
+    CMAKE_BUILD_TYPE_OPTIONS: "-DCMAKE_BUILD_TYPE=ASAN"
 
 gromacs:gcc-7-nocuda-10.1:release:configure:
   extends:
@@ -322,22 +322,22 @@ gromacs:gcc-7:release:configure:
     - regressiontests:package
     - prepare-release-version
 
-      #gromacs:clang-9:release:configure:
-      #  extends:
-      #    - .gromacs:base:release:configure
-      #    - .use-clang:base
-      #    - .use-mpi
-      #    - .rules:nightly-only-for-release
-      #  image: gromacs/cmake-3.15.7-llvm-9-openmpi:master
-      #  variables:
-      #    COMPILER_MAJOR_VERSION: 9
-      #    RELEASE_BUILD_DIR: release-builds-clang
-      #    CMAKE_PRECISION_OPTIONS: "-DGMX_DOUBLE=ON"
-      #    CMAKE_BUILD_TYPE_OPTIONS: "-DCMAKE_BUILD_TYPE=RelWithAssert"
-      #  dependencies:
-      #    - archive:package
-      #    - regressiontests:package
-      #    - prepare-release-version
+gromacs:clang-9:release:configure:
+  extends:
+    - .gromacs:base:release:configure
+    - .use-clang:base
+    - .use-mpi
+    - .rules:nightly-only-for-release
+  image: gromacs/cmake-3.15.7-llvm-9-openmpi:master
+  variables:
+    COMPILER_MAJOR_VERSION: 9
+    RELEASE_BUILD_DIR: release-builds-clang
+    CMAKE_PRECISION_OPTIONS: "-DGMX_DOUBLE=ON"
+    CMAKE_BUILD_TYPE_OPTIONS: "-DCMAKE_BUILD_TYPE=RelWithAssert"
+  dependencies:
+    - archive:package
+    - regressiontests:package
+    - prepare-release-version
 
 gromacs:clang-9-nocuda-10.1:release:configure:
   extends:
@@ -419,29 +419,31 @@ gromacs:clang-TSAN:build:
   needs:
     - job: gromacs:clang-TSAN:configure
 
-      #gromacs:clang-ASAN:build:
-      #  extends:
-      #    - .variables:default
-      #    - .gromacs:base:build
-      #    - .use-clang:base
-      #    - .use-ccache
-      #    - .rules:merge-requests
-      #  image: gromacs/cmake-3.13.0-llvm-8-tsan:master
-      #  tags:
-      #  needs:
-      #    - job: gromacs:clang-ASAN:configure
-
-      #gromacs:clang-static-analyzer:build:
-      #  extends:
-      #    - .variables:default
-      #    - .gromacs:static-analyzer-build
-      #    - .use-clang:base
-      #    - .use-ccache
-      #    - .rules:merge-requests
-      #  image: gromacs/cmake-3.13.0-llvm-8-tsan:master
-      #  tags:
-      #  needs:
-      #    - job: gromacs:clang-static-analyzer:configure
+gromacs:clang-ASAN:build:
+  extends:
+    - .variables:default
+    - .gromacs:base:build
+    - .use-clang:base
+    - .use-ccache
+    - .rules:merge-requests
+  image: gromacs/cmake-3.13.0-llvm-8-tsan:master
+  tags:
+    - k8s-scilifelab
+  needs:
+    - job: gromacs:clang-ASAN:configure
+
+gromacs:clang-static-analyzer:build:
+  extends:
+    - .variables:default
+    - .gromacs:static-analyzer-build
+    - .use-clang:base
+    - .use-ccache
+    - .rules:merge-requests
+  image: gromacs/cmake-3.13.0-llvm-8-tsan:master
+  tags:
+    - k8s-scilifelab
+  needs:
+    - job: gromacs:clang-static-analyzer:configure
 
 gromacs:clang-8:build:
   extends:
@@ -454,16 +456,16 @@ gromacs:clang-8:build:
   needs:
     - job: gromacs:clang-8:configure
 
-      #gromacs:clang-9-mpi:build:
-      #  extends:
-      #    - .variables:default
-      #    - .gromacs:base:build
-      #    - .before_script:default
-      #    - .use-ccache
-      #    - .rules:merge-requests
-      #  image: gromacs/cmake-3.15.7-llvm-9-openmpi:master
-      #  needs:
-      #    - job: gromacs:clang-9-mpi:configure
+gromacs:clang-9-mpi:build:
+  extends:
+    - .variables:default
+    - .gromacs:base:build
+    - .before_script:default
+    - .use-ccache
+    - .rules:merge-requests
+  image: gromacs/cmake-3.15.7-llvm-9-openmpi:master
+  needs:
+    - job: gromacs:clang-9-mpi:configure
 
 gromacs:gcc-7-nocuda-10.1:release:build:
   extends:
@@ -493,19 +495,19 @@ gromacs:gcc-7:release:build:
   needs:
     - job: gromacs:gcc-7:release:configure
 
-      #gromacs:clang-9:release:build:
-      #  extends:
-      #    - .variables:default
-      #    - .gromacs:base:build
-      #    - .before_script:default
-      #    - .use-ccache
-      #    - .rules:nightly-only-for-release
-      #  stage: release-build
-      #  variables:
-      #    BUILD_DIR: release-builds-clang
-      #  image: gromacs/cmake-3.15.7-llvm-9-openmpi:master
-      #  needs:
-      #    - job: gromacs:clang-9:release:configure
+gromacs:clang-9:release:build:
+  extends:
+    - .variables:default
+    - .gromacs:base:build
+    - .before_script:default
+    - .use-ccache
+    - .rules:nightly-only-for-release
+  stage: release-build
+  variables:
+    BUILD_DIR: release-builds-clang
+  image: gromacs/cmake-3.15.7-llvm-9-openmpi:master
+  needs:
+    - job: gromacs:clang-9:release:configure
 
 gromacs:clang-9-nocuda-10.1:release:build:
   extends:
@@ -596,6 +598,7 @@ gromacs:gcc-7:test:
     KUBERNETES_EXTENDED_RESOURCE_NAME: "amd.com/gpu"
     KUBERNETES_EXTENDED_RESOURCE_LIMIT: 1
   tags:
+    - k8s-scilifelab
   needs:
     - job: gromacs:gcc-7:build
 
@@ -608,6 +611,7 @@ gromacs:gcc-7-nocuda-10.1:test:
     KUBERNETES_EXTENDED_RESOURCE_NAME: "nvidia.com/gpu"
     KUBERNETES_EXTENDED_RESOURCE_LIMIT: 1
   tags:
+    - k8s-scilifelab
   needs:
     - job: gromacs:gcc-7-nocuda-10.1:build
 
@@ -627,26 +631,28 @@ gromacs:clang-TSAN:test:
   needs:
     - job: gromacs:clang-TSAN:build
 
-      #gromacs:clang-ASAN:test:
-      #  extends:
-      #    - .gromacs:base:test
-      #    - .use-clang:base
-      #    - .rules:merge-requests
-      #  image: gromacs/cmake-3.13.0-llvm-8-tsan:master
-      #  variables:
-      #    CTEST_RUN_MODE: "ExperimentalMemCheck"
-      #  tags:
-      #  needs:
-      #    - job: gromacs:clang-ASAN:build
-
-      #gromacs:clang-9-mpi:test:
-      #  extends:
-      #    - .gromacs:base:test
-      #    - .rules:merge-requests
-      #  image: gromacs/cmake-3.15.7-llvm-9-openmpi:master
-      #  tags:
-      #  needs:
-      #    - job: gromacs:clang-9-mpi:build
+gromacs:clang-ASAN:test:
+  extends:
+    - .gromacs:base:test
+    - .use-clang:base
+    - .rules:merge-requests
+  image: gromacs/cmake-3.13.0-llvm-8-tsan:master
+  variables:
+    CTEST_RUN_MODE: "ExperimentalMemCheck"
+  tags:
+    - k8s-scilifelab
+  needs:
+    - job: gromacs:clang-ASAN:build
+
+gromacs:clang-9-mpi:test:
+  extends:
+    - .gromacs:base:test
+    - .rules:merge-requests
+  image: gromacs/cmake-3.15.7-llvm-9-openmpi:master
+  tags:
+    - k8s-scilifelab
+  needs:
+    - job: gromacs:clang-9-mpi:build
 
 gromacs:gcc-7:regressiontest:
   extends:
@@ -660,6 +666,7 @@ gromacs:gcc-7:regressiontest:
     REGRESSIONTEST_TOTAL_RANK_NUMBER: 2
     REGRESSIONTEST_OMP_RANK_NUMBER: 1
   tags:
+    - k8s-scilifelab
   needs:
     - job: gromacs:gcc-7:build
     - job: regressiontests:prepare
@@ -676,6 +683,7 @@ gromacs:gcc-7-nocuda-10.1:regressiontest:
     REGRESSIONTEST_TOTAL_RANK_NUMBER: 2
     REGRESSIONTEST_OMP_RANK_NUMBER: 1
   tags:
+    - k8s-scilifelab
   needs:
     - job: gromacs:gcc-7-nocuda-10.1:build
     - job: regressiontests:prepare
@@ -686,6 +694,7 @@ gromacs:clang-8:regressiontest:
     - .rules:merge-requests
   image: gromacs/cmake-3.15.7-llvm-8-intelopencl-openmpi:2020
   tags:
+    - k8s-scilifelab
   needs:
     - job: gromacs:clang-8:build
     - job: regressiontests:prepare
@@ -696,33 +705,36 @@ gromacs:clang-TSAN:regressiontest:
     - .rules:merge-requests
   image: gromacs/cmake-3.13.0-llvm-8-tsan:master
   tags:
+    - k8s-scilifelab
   needs:
     - job: gromacs:clang-TSAN:build
     - job: regressiontests:prepare
 
-      #gromacs:clang-ASAN:regressiontest:
-      #  extends:
-      #    - .gromacs:base:regressiontest
-      #    - .use-clang:base
-      #    - .rules:merge-requests
-      #  image: gromacs/cmake-3.13.0-llvm-8-tsan:master
-      #  tags:
-      #  needs:
-      #    - job: gromacs:clang-ASAN:build
-      #    - job: regressiontests:prepare
-
-      #gromacs:clang-9:regressiontest:
-      #  extends:
-      #    - .gromacs:base:regressiontest
-      #    - .rules:merge-requests
-      #  image: gromacs/cmake-3.15.7-llvm-9-openmpi:master
-      #  variables:
-      #    REGRESSIONTEST_DOUBLE: "-double"
-      #    REGRESSIONTEST_PARALLEL: "-np"
-      #  tags:
-      #  needs:
-      #    - job: gromacs:clang-9-mpi:build
-      #    - job: regressiontests:prepare
+gromacs:clang-ASAN:regressiontest:
+  extends:
+    - .gromacs:base:regressiontest
+    - .use-clang:base
+    - .rules:merge-requests
+  image: gromacs/cmake-3.13.0-llvm-8-tsan:master
+  tags:
+    - k8s-scilifelab
+  needs:
+    - job: gromacs:clang-ASAN:build
+    - job: regressiontests:prepare
+
+gromacs:clang-9:regressiontest:
+  extends:
+    - .gromacs:base:regressiontest
+    - .rules:merge-requests
+  image: gromacs/cmake-3.15.7-llvm-9-openmpi:master
+  variables:
+    REGRESSIONTEST_DOUBLE: "-double"
+    REGRESSIONTEST_PARALLEL: "-np"
+  tags:
+    - k8s-scilifelab
+  needs:
+    - job: gromacs:clang-9-mpi:build
+    - job: regressiontests:prepare
 
 gromacs:gcc-7-nocuda-10.1:release:test:
   extends:
@@ -735,6 +747,7 @@ gromacs:gcc-7-nocuda-10.1:release:test:
     KUBERNETES_EXTENDED_RESOURCE_LIMIT: 1
     BUILD_DIR: release-builds-gcc
   tags:
+    - k8s-scilifelab
   needs:
     - job: gromacs:gcc-7-nocuda-10.1:release:configure
     - job: gromacs:gcc-7-nocuda-10.1:release:build
@@ -751,17 +764,17 @@ gromacs:gcc-7:release:test:
     - job: gromacs:gcc-7:release:configure
     - job: gromacs:gcc-7:release:build
 
-      #gromacs:clang-9:release:test:
-      #  extends:
-      #    - .gromacs:base:test
-      #    - .rules:nightly-only-for-release
-      #  stage: release-tests
-      #  image: gromacs/cmake-3.15.7-llvm-9-openmpi:master
-      #  variables:
-      #    BUILD_DIR: release-builds-clang
-      #  needs:
-      #    - job: gromacs:clang-9:release:configure
-      #    - job: gromacs:clang-9:release:build
+gromacs:clang-9:release:test:
+  extends:
+    - .gromacs:base:test
+    - .rules:nightly-only-for-release
+  stage: release-tests
+  image: gromacs/cmake-3.15.7-llvm-9-openmpi:master
+  variables:
+    BUILD_DIR: release-builds-clang
+  needs:
+    - job: gromacs:clang-9:release:configure
+    - job: gromacs:clang-9:release:build
 
 gromacs:clang-9-nocuda-10.1:release:test:
   extends:
@@ -774,6 +787,7 @@ gromacs:clang-9-nocuda-10.1:release:test:
     KUBERNETES_EXTENDED_RESOURCE_LIMIT: 1
     BUILD_DIR: release-builds-clang
   tags:
+    - k8s-scilifelab
   needs:
     - job: gromacs:clang-9-nocuda-10.1:release:configure
     - job: gromacs:clang-9-nocuda-10.1:release:build
@@ -787,24 +801,26 @@ gromacs:gcc-7:release:regressiontest:
   variables:
     BUILD_DIR: release-builds-gcc
   tags:
+    - k8s-scilifelab
   needs:
     - job: gromacs:gcc-7:release:build
     - job: regressiontests:package
 
-      #gromacs:clang-9:release:regressiontest:
-      #  extends:
-      #    - .gromacs:base:regressiontest
-      #    - .rules:nightly-only-for-release
-      #  stage: release-tests
-      #  image: gromacs/cmake-3.15.7-llvm-9-openmpi:master
-      #  variables:
-      #    BUILD_DIR: release-builds-clang
-      #    REGRESSIONTEST_DOUBLE: "-double"
-      #    REGRESSIONTEST_PARALLEL: "-np"
-      #  tags:
-      #  needs:
-      #    - job: gromacs:clang-9:release:build
-      #    - job: regressiontests:package
+gromacs:clang-9:release:regressiontest:
+  extends:
+    - .gromacs:base:regressiontest
+    - .rules:nightly-only-for-release
+  stage: release-tests
+  image: gromacs/cmake-3.15.7-llvm-9-openmpi:master
+  variables:
+    BUILD_DIR: release-builds-clang
+    REGRESSIONTEST_DOUBLE: "-double"
+    REGRESSIONTEST_PARALLEL: "-np"
+  tags:
+    - k8s-scilifelab
+  needs:
+    - job: gromacs:clang-9:release:build
+    - job: regressiontests:package
 
 gromacs:clang-9-nocuda-10.1:release:regressiontest:
   extends:
@@ -820,6 +836,7 @@ gromacs:clang-9-nocuda-10.1:release:regressiontest:
     REGRESSIONTEST_TOTAL_RANK_NUMBER: 2
     REGRESSIONTEST_OMP_RANK_NUMBER: 1
   tags:
+    - k8s-scilifelab
   needs:
     - job: gromacs:clang-9-nocuda-10.1:release:build
     - job: regressiontests:package

diff --git a/admin/gitlab-ci/python-gmxapi.gitlab-ci.yml b/admin/gitlab-ci/python-gmxapi.gitlab-ci.yml
index aab384b61c93e11628fa7ddcebeafdc61bf1c512..682a951e588bee7ba2d4f59e4f07c0cbfafcfc5f 100644 (file)
--- a/admin/gitlab-ci/python-gmxapi.gitlab-ci.yml
+++ b/admin/gitlab-ci/python-gmxapi.gitlab-ci.yml
@@ -35,6 +35,7 @@
     when: always
     expire_in: 1 week
   tags:
+    - k8s-scilifelab
   # The dependency means we need to use the same tag restriction as upstream.
   needs:
     - job: gromacs:clang-8:build
@@ -97,6 +98,7 @@ gmxapi-0.1:clang-8:py-3.8.2:
     when: always
     expire_in: 1 week
   tags:
+    - k8s-scilifelab
   # The dependency means we need to use the same tag restriction as upstream.
   needs:
     - job: gromacs:clang-8:build

diff --git a/admin/gitlab-ci/sample_restraint-regression.gitlab-ci.yml b/admin/gitlab-ci/sample_restraint-regression.gitlab-ci.yml
index b79b161a242af83173dc8947af4a01bed0ca1b74..7fd4fc9b2a181bf3df469800a24b2cbac38ec20c 100644 (file)
--- a/admin/gitlab-ci/sample_restraint-regression.gitlab-ci.yml
+++ b/admin/gitlab-ci/sample_restraint-regression.gitlab-ci.yml
@@ -25,6 +25,7 @@
     when: always
     expire_in: 1 week
   tags:
+    - k8s-scilifelab
   # The dependency means we need to use the same tag restriction as upstream.
   needs:
     # Note: if we want to run regression tests using artifacts from the `release-2020`

diff --git a/admin/gitlab-ci/sample_restraint.gitlab-ci.yml b/admin/gitlab-ci/sample_restraint.gitlab-ci.yml
index 6e9c3a5f0fc9f78869191bd7decc576cfd39e31e..1c99c8fb97dc51c3d182505651c311fd192e288d 100644 (file)
--- a/admin/gitlab-ci/sample_restraint.gitlab-ci.yml
+++ b/admin/gitlab-ci/sample_restraint.gitlab-ci.yml
@@ -20,6 +20,7 @@
     when: always
     expire_in: 1 week
   tags:
+    - k8s-scilifelab
   # The dependency means we need to use the same tag restriction as upstream.
   needs:
     - job: gromacs:clang-8:build