Pre-install Python dependencies in CI Docker images.

[alexxy/gromacs.git] / admin / gitlab-ci / documentation.gitlab-ci.yml

diff --git a/admin/gitlab-ci/documentation.gitlab-ci.yml b/admin/gitlab-ci/documentation.gitlab-ci.yml
index 5061edd4a32041e3d1637f998ebec750dda598d9..e0df386b4a640b7050e8df7a502f262c30904a8c 100644 (file)
--- a/admin/gitlab-ci/documentation.gitlab-ci.yml
+++ b/admin/gitlab-ci/documentation.gitlab-ci.yml
@@ -6,20 +6,20 @@
     - .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: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-llvm-7-docs
   stage: configure-build
   cache: {}
   variables:
     KUBERNETES_CPU_LIMIT: 1
     KUBERNETES_CPU_REQUEST: 1
-    KUBERNETES_MEMORY_LIMIT: 2Gi
+    KUBERNETES_MEMORY_REQUEST: 2Gi
     CMAKE_COMPILER_SCRIPT: "-DCMAKE_C_COMPILER=clang-7 -DCMAKE_CXX_COMPILER=clang++-7"
-    CMAKE_EXTRA_OPTIONS: ""
     CMAKE_SIMD_OPTIONS: "-DGMX_SIMD=None"
     CMAKE_MPI_OPTIONS: "-DGMX_THREAD_MPI=OFF"
     CMAKE_PRECISION_OPTIONS: "-DGMX_DOUBLE=OFF"
     CMAKE_BUILD_TYPE_OPTIONS: "-DCMAKE_BUILD_TYPE=Debug"
     CMAKE_GPU_OPTIONS: "-DGMX_GPU=OFF"
+    CMAKE_GMXAPI_OPTIONS: "-DGMX_PYTHON_PACKAGE=ON"
   script:
     - if [[ ! -z $GROMACS_RELEASE && $GROMACS_RELEASE == "true" ]] ; then
       REL_OPTION="-DGMX_BUILD_TARBALL=ON" ;
@@ -42,6 +42,11 @@
       mkdir $BUILD_DIR ;
       fi
     - cd $BUILD_DIR
+    # Running CMake with the venv activated should not be strictly necessary,
+    # but helps to find and cache self-consistent Python and Sphinx details
+    # without additional hinting. Once CMakeCache.txt exists, the later stages
+    # should work fine without reactivating the venv.
+    - source /root/venv/py3.7/bin/activate
     - cmake ..
       -DCMAKE_C_COMPILER_LAUNCHER=ccache -DCMAKE_CXX_COMPILER_LAUNCHER=ccache
       $CMAKE_COMPILER_SCRIPT
@@ -72,20 +77,20 @@
     - .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: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-llvm-7-docs
   stage: release-configure
   cache: {}
   variables:
     KUBERNETES_CPU_LIMIT: 1
     KUBERNETES_CPU_REQUEST: 1
-    KUBERNETES_MEMORY_LIMIT: 2Gi
+    KUBERNETES_MEMORY_REQUEST: 2Gi
     CMAKE_COMPILER_SCRIPT: "-DCMAKE_C_COMPILER=clang-7 -DCMAKE_CXX_COMPILER=clang++-7"
-    CMAKE_EXTRA_OPTIONS: ""
     CMAKE_SIMD_OPTIONS: "-DGMX_SIMD=None"
     CMAKE_MPI_OPTIONS: "-DGMX_THREAD_MPI=ON"
     CMAKE_PRECISION_OPTIONS: "-DGMX_DOUBLE=OFF"
     CMAKE_BUILD_TYPE_OPTIONS: "-DCMAKE_BUILD_TYPE=Debug"
     CMAKE_GPU_OPTIONS: "-DGMX_GPU=OFF"
+    CMAKE_GMXAPI_OPTIONS: "-DGMX_PYTHON_PACKAGE=ON"
     RELEASE_BUILD_DIR: release-doc-builds
     RELEASE_SOURCE: release-source-from-tarball
     RELEASE_REGRESSIONTESTS: release-regressiontests-from-tarball
@@ -145,6 +150,7 @@
       mkdir $RELEASE_BUILD_DIR ;
       fi
     - cd $RELEASE_BUILD_DIR
+    - source /root/venv/py3.7/bin/activate
     - cmake ../$RELEASE_SOURCE/
       -DCMAKE_C_COMPILER_LAUNCHER=ccache -DCMAKE_CXX_COMPILER_LAUNCHER=ccache
       $CMAKE_COMPILER_SCRIPT
@@ -176,14 +182,13 @@ docs:configure:
   extends:
     - .docs:configure
     - .rules:basic-push
-  tags: []
   variables:
     BUILD_DIR: build-docs
-    CMAKE_EXTRA_OPTIONS: -DGMX_BUILD_HELP=on -DGMX_BUILD_MANUAL=on
+    CMAKE_EXTRA_OPTIONS: -DGMX_BUILD_HELP=on -DGMX_BUILD_MANUAL=on -DGMX_USE_SIMD_KERNELS=off
 
 .docs:build:
   # TODO (#3480) this should be organized more like the current documentation.py script
-  image: gromacs/ci-docs-llvm:master
+  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-llvm-7-docs
   script:
     - cd $BUILD_DIR
     - cmake --build . --target gmx -- -j8
@@ -204,7 +209,6 @@ docs:build:
     - .before_script:default
     - .rules:basic-push
   stage: documentation
-  tags: []
   needs:
     - job: docs:configure
   variables:
@@ -224,12 +228,12 @@ 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: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-20.04-llvm-7-docs
   cache: {}
   variables:
     KUBERNETES_CPU_LIMIT: 4
     KUBERNETES_CPU_REQUEST: 2
-    KUBERNETES_MEMORY_LIMIT: 4Gi
+    KUBERNETES_MEMORY_REQUEST: 4Gi
   script:
     - cd $BUILD_DIR
     - cmake --build . --target manual -- -j4 | tee docs/manual/all-output.log
@@ -261,7 +265,6 @@ webpage:build:
     - .webpage:build
     - .rules:basic-push
   stage: post-test
-  tags: []
   needs:
     - job: docs:build
     - job: check-source
@@ -274,12 +277,14 @@ webpage:configure:
     - .docs:configure:release
     - .rules:nightly-only-for-release
   cache: {}
+  tags:
+    - k8s-scilifelab
   dependencies:
     - archive:package
     - regressiontests:package
     - prepare-release-version
   variables:
-    CMAKE_EXTRA_OPTIONS: -DGMX_BUILD_HELP=on -DGMX_BUILD_MANUAL=on
+    CMAKE_EXTRA_OPTIONS: -DGMX_BUILD_HELP=on -DGMX_BUILD_MANUAL=on -DGMX_USE_SIMD_KERNELS=off
 
 
 webpage:dependencies:
@@ -291,6 +296,8 @@ webpage:dependencies:
     - .before_script:default
     - .rules:nightly-only-for-release
   stage: release-build
+  tags:
+    - k8s-scilifelab
   needs:
     - job: webpage:configure
   variables:
@@ -300,9 +307,11 @@ webpage:build:release:
   extends:
     - .webpage:build
     - .rules:nightly-only-for-release
+  stage: release-prepare-deploy
+  tags:
+    - k8s-scilifelab
   dependencies:
     - webpage:dependencies
     - webpage:configure
-  stage: release-prepare-deploy
   variables:
     BUILD_DIR: release-doc-builds