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language: cpp
sudo: false
matrix:
#allow_failures:
# - compiler: clang
# env:
# - CXX_COMPILER='clang++-3.9'
# - PYTHON_VER='3.5'
# - C_COMPILER='clang-3.9'
# - Fortran_COMPILER='gfortran'
# - BUILD_TYPE='release'
# - NAME='clang'
# - VERSION='3.9'
include:
- os: linux
compiler: clang
addons: &1
apt:
sources:
- llvm-toolchain-precise-3.6
- ubuntu-toolchain-r-test
packages:
- liblapack-dev
- clang-3.6
- libhdf5-serial-dev
- gfortran
env:
- CXX_COMPILER='clang++-3.6'
- PYTHON_VER='3.6'
- C_COMPILER='clang-3.6'
- Fortran_COMPILER='gfortran'
- BUILD_TYPE='release'
- NAME='clang'
- VERSION='3.6'
#- os: linux
# compiler: clang
# addons: &2
# apt:
# sources:
# - llvm-toolchain-precise-3.9
# - ubuntu-toolchain-r-test
# packages:
# - liblapack-dev
# - clang-3.9
# - libhdf5-serial-dev
# - gfortran
# env:
# - CXX_COMPILER='clang++-3.9'
# - PYTHON_VER='3.5'
# - C_COMPILER='clang-3.9'
# - Fortran_COMPILER='gfortran'
# - BUILD_TYPE='release'
# - NAME='clang'
# - VERSION='3.9'
- os: linux
compiler: gcc
addons: &3
apt:
sources:
- ubuntu-toolchain-r-test
packages:
- python-numpy
- cmake
- cmake-data
- liblapack-dev
- libhdf5-serial-dev
- g++-4.9
- gcc-4.9
- gfortran-4.9
env:
- CXX_COMPILER='g++-4.9'
- PYTHON_VER='2.7'
- C_COMPILER='gcc-4.9'
- Fortran_COMPILER='gfortran-4.9'
- BUILD_TYPE='release'
- NAME='gcc'
- VERSION='4.9'
- os: linux
compiler: gcc
addons: &4
apt:
sources:
- ubuntu-toolchain-r-test
packages:
- python-numpy
- cmake
- cmake-data
- libhdf5-serial-dev
- liblapack-dev
- g++-6
- gcc-6
- gfortran-6
env:
- CXX_COMPILER='g++-6'
- PYTHON_VER='3.5'
- C_COMPILER='gcc-6'
- Fortran_COMPILER='gfortran-6'
- BUILD_TYPE='release'
- NAME='gcc'
- VERSION=6
# - os: linux
# compiler: gcc
# addons: &5
# apt:
# sources:
# - ubuntu-toolchain-r-test
# packages:
# - python3
# - cmake
# - cmake-data
# - libhdf5-serial-dev
# - liblapack-dev
# - g++-6
# - gcc-6
# - gfortran-6
# env:
# - CXX_COMPILER='g++-6'
# - PYTHON_VER='3.5'
# - C_COMPILER='gcc-6'
# - Fortran_COMPILER='gfortran-6'
# - BUILD_TYPE='release'
# - NAME='gcc'
# - VERSION=6
before_install:
- uname -a
- free -m
- df -h
- ulimit -a
install:
- wget https://repo.continuum.io/miniconda/Miniconda3-latest-Linux-x86_64.sh -O miniconda.sh;
- bash miniconda.sh -b -p $HOME/miniconda
- export PATH="$HOME/miniconda/bin:$PATH"
- hash -r
- conda config --set always_yes yes --set changeps1 no
- conda update -q conda
- conda info -a
- conda create -q -n p4env python=$PYTHON_VER numpy cmake ci-psi4-lt psi4-lt-mp gau2grid dftd3 gcp snsmp2 scipy -c psi4/label/dev -c psi4
- source activate p4env
- conda list
before_script:
- python -V
- python -c 'import numpy; print(numpy.version.version)'
- cd ${TRAVIS_BUILD_DIR}
- export CXX=${CXX_COMPILER}
- export CC=${C_COMPILER}
- export FC=${Fortran_COMPILER}
- export CTEST_OUTPUT_ON_FAILURE=1
- ${CXX_COMPILER} --version
- ${Fortran_COMPILER} --version
- ${C_COMPILER} --version
- >
cmake -Bbuild -H.
-DCMAKE_CXX_COMPILER=${CXX_COMPILER}
-DCMAKE_C_COMPILER=${C_COMPILER}
-DCMAKE_BUILD_TYPE=${BUILD_TYPE}
-DCMAKE_PREFIX_PATH=${HOME}/miniconda/envs/p4env
-DPYTHON_EXECUTABLE="${HOME}/miniconda/envs/p4env/bin/python"
-DENABLE_CheMPS2=OFF
-DENABLE_dkh=ON
-DENABLE_libefp=ON
-DENABLE_erd=ON
-DENABLE_gdma=ON
-DENABLE_PCMSolver=ON
-DENABLE_simint=ON
-DENABLE_v2rdm_casscf=ON
-DENABLE_snsmp2=ON
-DENABLE_PLUGIN_TESTING=ON
-DCMAKE_INSTALL_PREFIX=${TRAVIS_BUILD_DIR}/Install
- cd build
- ../.scripts/travis_build.sh
script:
- ./stage/${TRAVIS_BUILD_DIR}/Install/bin/psi4 ../tests/tu1-h2o-energy/input.dat
- python ../.scripts/travis_run_test.py
- python ../.scripts/travis_print_failing.py
# safelist
branches:
only:
- master
- 1.1.x
- 1.0.x