.gitlab-ci.yml

variables:
 GIT_STRATEGY: none

stages:
 - build
 - test
 - doc

gcc650_0001:
 tags: [rcc,docker,node-01]
 stage: build
 image: miccomcenter/bot:$CI_JOB_NAME
 before_script:    
   - if [ -z $GCC_VERSION ]; then echo "not set"; else echo $GCC_VERSION; fi
   - if [ -z $LAPACK_VERSION ]; then echo "not set"; else echo $LAPACK_VERSION; fi
   - if [ -z $XERCES_VERSION ]; then echo "not set"; else echo $XERCES_VERSION; fi
   - if [ -z $OPENMPI_VERSION ]; then echo "not set"; else echo $OPENMPI_VERSION; fi
   - if [ -z $MPICH_VERSION ]; then echo "not set"; else echo $MPICH_VERSION; fi
   - if [ -z $SCALAPACK_VERSION ]; then echo "not set"; else echo $SCALAPACK_VERSION; fi
   - if [ -z $FFTW_VERSION ]; then echo "not set"; else echo $FFTW_VERSION; fi
   - if [ -z PYTHON_VERSION ]; then echo "not set"; else echo $PYTHON_VERSION; fi
   - if [ -z PYTHON_PIP_VERSION ]; then echo "not set"; else echo $PYTHON_PIP_VERSION; fi
 script:
   - git clone -b 'qe-6.1.0' --single-branch --depth 1 https://gitlab.com/QEF/q-e.git QEDIR
   - cd QEDIR
   - git describe
   - ./configure
   - make -j pw
   - ls bin
   - git clone -b $CI_COMMIT_REF_NAME $CI_REPOSITORY_URL West
   - cd West
   - git describe
   - make
   - ls ../bin 


gcc650_0002:
 tags: [rcc,docker,node-01]
 stage: build
 image: miccomcenter/bot:$CI_JOB_NAME
 before_script:    
   - if [ -z $GCC_VERSION ]; then echo "not set"; else echo $GCC_VERSION; fi
   - if [ -z $LAPACK_VERSION ]; then echo "not set"; else echo $LAPACK_VERSION; fi
   - if [ -z $XERCES_VERSION ]; then echo "not set"; else echo $XERCES_VERSION; fi
   - if [ -z $OPENMPI_VERSION ]; then echo "not set"; else echo $OPENMPI_VERSION; fi
   - if [ -z $MPICH_VERSION ]; then echo "not set"; else echo $MPICH_VERSION; fi
   - if [ -z $SCALAPACK_VERSION ]; then echo "not set"; else echo $SCALAPACK_VERSION; fi
   - if [ -z $FFTW_VERSION ]; then echo "not set"; else echo $FFTW_VERSION; fi
   - if [ -z PYTHON_VERSION ]; then echo "not set"; else echo $PYTHON_VERSION; fi
   - if [ -z PYTHON_PIP_VERSION ]; then echo "not set"; else echo $PYTHON_PIP_VERSION; fi
 script:
   - git clone -b 'qe-6.1.0' --single-branch --depth 1 https://gitlab.com/QEF/q-e.git QEDIR
   - cd QEDIR
   - git describe
   - ./configure
   - make -j pw
   - ls bin
   - git clone -b $CI_COMMIT_REF_NAME $CI_REPOSITORY_URL West
   - cd West
   - git describe
   - make
   - ls ../bin 

west_build_gcc:
 tags: [rcc,docker,node-01]
 stage: build
 image: ubuntu:latest
 before_script:
   - apt-get update > /dev/null
   - apt-get install -qq git > /dev/null 
   - apt-get install -qq build-essential gfortran wget python-pip python-dev > /dev/null
   - apt-get install -qq libopenmpi-dev openmpi-bin > /dev/null
   - apt-get install -qq libblas-dev liblapack-dev fftw3 fftw3-dev pkg-config > /dev/null
 script:
   - git clone -b 'qe-6.1.0' --single-branch --depth 1 https://gitlab.com/QEF/q-e.git QEDIR
   - cd QEDIR
   - git describe
   - ./configure
   - make -j pw
   - ls bin
   - git clone -b $CI_COMMIT_REF_NAME $CI_REPOSITORY_URL West
   - cd West
   - git describe
   - make
   - ls ../bin 

west_build_intel:
 tags: [rcc,docker,node-01]
 stage: build
 image: centos:centos7
 before_script:
   - yum -y update > /dev/null
   - yum -y install yum-utils > /dev/null
   - yum -y install centos-release-scl-rh > /dev/null
   - yum -y install devtoolset-3 > /dev/null
   - yum -y install gcc gcc-c++ autoconf automake
   - yum -y install vim > /dev/null 
   - yum -y install wget pkgconfig git make > /dev/null
   - export TZ="US/Central"
   - rm -f /etc/localtime
   - cp  /usr/share/zoneinfo/$TZ  /etc/localtime
   - export PATH=/software/intel/impi/5.1.3.210/intel64/bin:/software/intel/parallel_studio_xe_2016_update3/bin:$PATH
   - export LD_LIBRARY_PATH=/software/intel/parallel_studio_xe_2017/mkl/lib/intel64:/software/intel/impi/5.1.3.210/intel64/lib:$LD_LIBRARY_PATH
   - export LD_LIBRARY_PATH=/software/intel/parallel_studio_xe_2016_update3/ipp/lib/intel64:/software/intel/parallel_studio_xe_2016_update3/lib/intel64:$LD_LIBRARY_PATH
   - export LIBRARY_PATH=/software/intel/parallel_studio_xe_2017/mkl/lib/intel64:$LIBRARY_PATH
   - export CPATH=/software/intel/parallel_studio_xe_2016_update3/ipp/include:/software/intel/parallel_studio_xe_2017/mkl/include
   - export I_MPI_CC=icc
   - export I_MPI_CXX=icpc
   - export I_MPI_FC=ifort
   - export I_MPI_F77=ifort
   - export I_MPI_F90=ifort
   - export I_MPI_F95=ifort
   - export I_MPI_PROCESS_MANAGER=hydra
   - export I_MPI_ROOT=/software/intel/impi/5.1.3.210
 script:
   - echo "$PATH"
   - echo "$LD_LIBRARY_PATH"
   - echo "$I_MPI_F90"
   - git clone -b 'qe-6.1.0' --single-branch --depth 1 https://gitlab.com/QEF/q-e.git QEDIR
   - cd QEDIR
   - git describe
   - export F77=mpiifort
   - export CC=mpiicc
   - export MPIF90=mpiifort
   - export FC=mpiifort
   - which ifort
   - which icc
   - which mpiifort 
   - export CFLAGS="-O3 -xHost -fno-alias -ansi-alias -g -mkl"
   - export FFLAGS="-O3 -xHost -fno-alias -ansi-alias -g -mkl"
   - export DFLAGS="-D__DFTI -D__MPI -D__SCALAPACK"
   - export BLAS_LIBS_SWITCH="external"
   - export BLAS_LIBS=" -lmkl_intel_lp64  -lmkl_sequential -lmkl_core"
   - export LAPACK_LIBS_SWITCH="external"
   - export LAPACK_LIBS=""
   - export SCALAPACK_LIBS=" -lmkl_scalapack_lp64 -Wl,--start-group  -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -lmkl_blacs_intelmpi_lp64 -Wl,--end-group"
   - ./configure --enable-openmp --with-scalapack
   - make -j pw
   - ls bin
   - git clone -b $CI_COMMIT_REF_NAME $CI_REPOSITORY_URL West
   - cd West
   - git describe
   - make
   - ls ../bin 
   - ldd ../bin/pw.x

west_test_intel:
 tags: [rcc,docker,node-01]
 stage: test
 image: centos:centos7
 before_script:
   - yum -y update > /dev/null
   - yum -y install yum-utils > /dev/null
   - yum -y install centos-release-scl-rh > /dev/null
   - yum -y install devtoolset-3 > /dev/null
   - yum -y install gcc gcc-c++ autoconf automake
   - yum -y install vim > /dev/null 
   - yum -y install wget pkgconfig git make > /dev/null
   - export TZ="US/Central"
   - rm -f /etc/localtime
   - cp  /usr/share/zoneinfo/$TZ  /etc/localtime
   - export PATH=/software/intel/impi/5.1.3.210/intel64/bin:/software/intel/parallel_studio_xe_2016_update3/bin:$PATH
   - export LD_LIBRARY_PATH=/software/intel/parallel_studio_xe_2017/mkl/lib/intel64:/software/intel/impi/5.1.3.210/intel64/lib:$LD_LIBRARY_PATH
   - export LD_LIBRARY_PATH=/software/intel/parallel_studio_xe_2016_update3/ipp/lib/intel64:/software/intel/parallel_studio_xe_2016_update3/lib/intel64:$LD_LIBRARY_PATH
   - export LIBRARY_PATH=/software/intel/parallel_studio_xe_2017/mkl/lib/intel64:$LIBRARY_PATH
   - export CPATH=/software/intel/parallel_studio_xe_2016_update3/ipp/include:/software/intel/parallel_studio_xe_2017/mkl/include
   - export I_MPI_CC=icc
   - export I_MPI_CXX=icpc
   - export I_MPI_FC=ifort
   - export I_MPI_F77=ifort
   - export I_MPI_F90=ifort
   - export I_MPI_F95=ifort
   - export I_MPI_PROCESS_MANAGER=hydra
   - export I_MPI_ROOT=/software/intel/impi/5.1.3.210
 script:
   - echo "$PATH"
   - echo "$LD_LIBRARY_PATH"
   - echo "$I_MPI_F90"
   - git clone -b 'qe-6.1.0' --single-branch --depth 1 https://gitlab.com/QEF/q-e.git QEDIR
   - cd QEDIR
   - git describe
   - export F77=mpiifort
   - export CC=mpiicc
   - export MPIF90=mpiifort
   - export FC=mpiifort
   - which ifort
   - which icc
   - which mpiifort 
   - export CFLAGS="-O3 -xHost -fno-alias -ansi-alias -g -mkl"
   - export FFLAGS="-O3 -xHost -fno-alias -ansi-alias -g -mkl"
   - export DFLAGS="-D__DFTI -D__MPI -D__SCALAPACK"
   - export BLAS_LIBS_SWITCH="external"
   - export BLAS_LIBS=" -lmkl_intel_lp64  -lmkl_sequential -lmkl_core"
   - export LAPACK_LIBS_SWITCH="external"
   - export LAPACK_LIBS=""
   - export SCALAPACK_LIBS=" -lmkl_scalapack_lp64 -Wl,--start-group  -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -lmkl_blacs_intelmpi_lp64 -Wl,--end-group"
   - ./configure --enable-openmp --with-scalapack
   - make -j pw
   - ls bin
   - git clone -b $CI_COMMIT_REF_NAME $CI_REPOSITORY_URL West
   - cd West
   - git describe
   - make
   - ls ../bin 
   - useradd -m qe
   - cp -r test-suite /home/qe
   - su - qe
   - cd test-suite 
   - make NP=14 NI=1 NT=1 

west_test_gcc:
 tags: [rcc,docker,node-01]
 stage: test
 image: ubuntu:latest
 before_script:
   - apt-get update > /dev/null
   - apt-get install -qq git > /dev/null 
   - apt-get install -qq build-essential gfortran wget python-pip python-dev > /dev/null
   - apt-get install -qq libopenmpi-dev openmpi-bin > /dev/null
   - apt-get install -qq libblas-dev liblapack-dev fftw3 fftw3-dev pkg-config > /dev/null
 script:
   - git clone -b 'qe-6.1.0' --single-branch --depth 1 https://gitlab.com/QEF/q-e.git QEDIR
   - cd QEDIR
   - ./configure FFLAGS="-ffpe-summary=none" > /dev/null
   - make -j pw > /dev/null
   - git clone -b $CI_COMMIT_REF_NAME $CI_REPOSITORY_URL West
   - cd West 
   - make > /dev/null
   - useradd -m qe
   - cp -r test-suite /home/qe
   - su - qe
   - cd test-suite 
   - make NP=14 NI=1 NT=1 

west_doc_build:
 tags: [rcc,docker,node-01]
 stage: doc
 image: continuumio/miniconda3:latest
 before_script:
   - apt-get update > /dev/null
   - export TZ="US/Central"
   - apt-get install -qq make > /dev/null
   - apt-get install -qq pandoc > /dev/null
   - rm -f /etc/localtime
   - cp  /usr/share/zoneinfo/$TZ  /etc/localtime
   - pip install -q --upgrade pip
   - pip install -q nbsphinx
   - pip install -q sphinx_rtd_theme
   - pip install -q ipython
 script:
   - git clone -b $CI_COMMIT_REF_NAME $CI_REPOSITORY_URL West
   - cd West
   - git describe
   - cd doc
   - make html
   - ls _build/html