1 # Mix-in job definitions.
3 # Centralized definitions of common job parameter values.
7 KUBERNETES_CPU_LIMIT: 8
8 KUBERNETES_CPU_REQUEST: 4
9 KUBERNETES_MEMORY_LIMIT: 8Gi
10 KUBERNETES_EXTENDED_RESOURCE_NAME: ""
11 KUBERNETES_EXTENDED_RESOURCE_LIMIT: 0
12 CACHE_FALLBACK_KEY: "$CI_JOB_NAME-$CI_JOB_STAGE-master"
17 # Behavioral templates
19 # Use a persistent compiler cache to speed up rebuilds for a single job.
22 key: "$CI_JOB_NAME-$CI_JOB_STAGE-$CI_COMMIT_REF_SLUG"
27 .gmxapi-extra-installs:
29 EXTRA_INSTALLS: python3-dev python3-networkx python3-setuptools python3-mpi4py python3-numpy python3-pip python3-pytest
31 .configure-gmxapi-template:
33 - .gmxapi-extra-installs
35 CMAKE_GMXAPI_OPTIONS: "-DGMX_PYTHON_PACKAGE=ON"
41 CMAKE_PRECISION_OPTIONS: "-DGMX_DOUBLE=OFF"
44 CMAKE_EXTRA_OPTIONS: -DCUDA_TOOLKIT_ROOT_DIR=/usr/local/cuda/
45 CMAKE_GPU_OPTIONS: -DGMX_GPU=ON
47 # Base definition, not to be used directly.
48 # Use version-specific `.use-gccX` definitions when defining jobs.
52 CMAKE_COMPILER_SCRIPT: -DCMAKE_C_COMPILER=gcc-$COMPILER_MAJOR_VERSION -DCMAKE_CXX_COMPILER=g++-$COMPILER_MAJOR_VERSION
54 - echo $EXTRA_INSTALLS
55 - time apt-get -qq update
56 - time apt-get -qqy --no-install-suggests --no-install-recommends install
59 - export CCACHE_BASEDIR=${PWD}
60 - export CCACHE_DIR=${PWD}/ccache
63 image: gromacs/ci-gcc-7:master
65 COMPILER_MAJOR_VERSION: 7
70 image: gromacs/ci-gcc-8:master
72 COMPILER_MAJOR_VERSION: 8
77 image: gromacs/ci-gcc-8-cuda-10.2:master
79 CUDA_BASE_VERSION: "10.2"
80 COMPILER_MAJOR_VERSION: 8
82 # Base definition, not to be used directly.
83 # Use version-specific `.use-clangX` definitions when defining jobs.
86 DEBIAN_FRONTEND: noninteractive
87 BUILD_DIR: build-clang
88 CMAKE_COMPILER_SCRIPT: -DCMAKE_C_COMPILER=clang-$COMPILER_MAJOR_VERSION -DCMAKE_CXX_COMPILER=clang++-$COMPILER_MAJOR_VERSION
90 - echo $EXTRA_INSTALLS
91 - time apt-get -qq update
92 - time apt-get -qqy --no-install-suggests --no-install-recommends install
95 - export CCACHE_BASEDIR=${PWD}
96 - export CCACHE_DIR=${PWD}/ccache
99 image: gromacs/ci-clang-6:master
101 COMPILER_MAJOR_VERSION: 6
106 image: gromacs/ci-clang-7:master
108 COMPILER_MAJOR_VERSION: 7
113 image: gromacs/ci-clang-8:master
115 COMPILER_MAJOR_VERSION: 8