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.travis.yml
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.travis.yml
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language: generic
dist: trusty
sudo: required
services: docker
matrix:
include:
# https://hub.docker.com/_/centos/
- os: linux
env: VARIANT='centos' VERSION='7' PYTHON='2'
- os: linux
env: VARIANT='centos' VERSION='7' PYTHON='3'
# https://hub.docker.com/_/debian/
- os: linux
env: VARIANT='debian' VERSION='latest' PYTHON='2'
- os: linux
env: VARIANT='debian' VERSION='latest' PYTHON='3'
# https://hub.docker.com/_/fedora/
- os: linux
env: VARIANT='fedora' VERSION='latest' PYTHON='2'
- os: linux
env: VARIANT='fedora' VERSION='latest' PYTHON='3'
# https://hub.docker.com/_/ubuntu/
- os: linux
env: VARIANT='ubuntu' VERSION='latest' PYTHON='2'
- os: linux
env: VARIANT='ubuntu' VERSION='latest' PYTHON='3'
- os: linux
env: VARIANT='ubuntu' VERSION='devel' PYTHON='2'
- os: linux
env: VARIANT='ubuntu' VERSION='devel' PYTHON='3'
- os: linux
env: VARIANT='ubuntu' VERSION='rolling' PYTHON='3'
# https://docs.travis-ci.com/user/reference/osx/#OS-X-Version
- os: osx
env: VERSION='xcode9.3' PYTHON='2'
- os: osx
env: VERSION='xcode9.3' PYTHON='3'
before_install:
- if [ "${TRAVIS_OS_NAME}" == "linux" ]; then
export ASE_CALCULATORS='';
export CONTAINER="${VARIANT}_${VERSION}_python${PYTHON}";
docker pull "${VARIANT}:${VERSION}";
docker run -dit --name "${CONTAINER}" -v "$TRAVIS_BUILD_DIR":/"$TRAVIS_BUILD_DIR" "${VARIANT}:${VERSION}" sh;
if [ "${VARIANT}" == "centos" ]; then
if [ "${VERSION}" == "7" ]; then
docker exec -i "${CONTAINER}" yum -y install https://dl.fedoraproject.org/pub/epel/epel-release-latest-7.noarch.rpm;
fi;
if [ "${PYTHON}" == "2" ]; then
docker exec -i "${CONTAINER}" yum -y install python${PYTHON}-pip;
docker exec -i "${CONTAINER}" yum -y install python-virtualenv;
docker exec -i "${CONTAINER}" yum -y install tkinter;
else
docker exec -i "${CONTAINER}" yum -y install python34-pip;
docker exec -i "${CONTAINER}" yum -y install python34-virtualenv python-virtualenv;
docker exec -i "${CONTAINER}" yum -y install python34-tkinter;
fi;
docker exec -i "${CONTAINER}" yum -y install which;
docker exec -i "${CONTAINER}" yum -y install gcc;
docker exec -i "${CONTAINER}" yum -y install libstdc++;
docker exec -i "${CONTAINER}" pip${PYTHON} install --upgrade pip virtualenv;
fi;
if [ "${VARIANT}" == "debian" ]; then
docker exec -i "${CONTAINER}" apt-get update;
if [ "${PYTHON}" == "2" ]; then
docker exec -i "${CONTAINER}" apt-get -y install python-pip;
docker exec -i "${CONTAINER}" apt-get -y install python-virtualenv;
docker exec -i "${CONTAINER}" export DEBIAN_FRONTEND=noninteractive apt-get -y install python-tk;
else
docker exec -i "${CONTAINER}" apt-get -y install python${PYTHON}-pip;
docker exec -i "${CONTAINER}" apt-get -y install python${PYTHON}-virtualenv virtualenv;
docker exec -i "${CONTAINER}" export DEBIAN_FRONTEND=noninteractive apt-get -y install python3-tk;
fi
fi;
if [ "${VARIANT}" == "fedora" ]; then
docker exec -i "${CONTAINER}" yum -y install python${PYTHON}-pip;
docker exec -i "${CONTAINER}" yum -y install python${PYTHON}-virtualenv python-virtualenv;
docker exec -i "${CONTAINER}" yum -y install python${PYTHON}-tkinter;
docker exec -i "${CONTAINER}" yum -y install which;
docker exec -i "${CONTAINER}" yum -y install gcc;
docker exec -i "${CONTAINER}" yum -y install libstdc++;
fi;
if [ "${VARIANT}" == "ubuntu" ]; then
docker exec -i "${CONTAINER}" apt-get update;
if [ "${PYTHON}" == "2" ]; then
docker exec -i "${CONTAINER}" apt-get -y install python-pip;
docker exec -i "${CONTAINER}" apt-get -y install python-virtualenv;
docker exec -i "${CONTAINER}" export DEBIAN_FRONTEND=noninteractive apt-get -y install python-tk;
else
docker exec -i "${CONTAINER}" apt-get -y install python${PYTHON}-pip;
docker exec -i "${CONTAINER}" apt-get -y install python${PYTHON}-virtualenv virtualenv;
docker exec -i "${CONTAINER}" export DEBIAN_FRONTEND=noninteractive apt-get -y install python3-tk;
fi;
if [ "${VERSION}" == "rolling" ]; then
docker exec -i "${CONTAINER}" apt-get -y install abinit abinit-data cp2k cp2k-data elk-lapw gromacs gromacs-data lammps nwchem nwchem-data quantum-espresso quantum-espresso-data;
export ASE_CALCULATORS='--calculators=abinit,cp2k,elk,gromacs,lammpsrun,nwchem,espresso';
fi
fi;
docker exec -i "${CONTAINER}" which pip${PYTHON};
docker exec -i "${CONTAINER}" pip${PYTHON} --version;
fi
- if [ "${TRAVIS_OS_NAME}" == "osx" ]; then
export ASE_CALCULATORS='';
brew update > /dev/null;
brew upgrade python@${PYTHON} || :;
pip${PYTHON} install virtualenv;
which pip${PYTHON};
pip${PYTHON} --version;
fi
# install test environment
install:
- if [ "${TRAVIS_OS_NAME}" == "linux" ]; then
docker exec -i "${CONTAINER}"
bash -c "cd ${TRAVIS_BUILD_DIR}&&
virtualenv --python=python${PYTHON} VENV_TEST&&
. VENV_TEST/bin/activate&&
python setup.py install";
fi
- if [ "${TRAVIS_OS_NAME}" == "osx" ]; then
bash -c "cd ${TRAVIS_BUILD_DIR}&&
virtualenv --python=python${PYTHON} VENV_TEST&&
. VENV_TEST/bin/activate&&
python setup.py install";
fi
# test
script:
- if [ "${TRAVIS_OS_NAME}" == "linux" ]; then
docker exec -i "${CONTAINER}"
bash -c "cd ${TRAVIS_BUILD_DIR}&&
virtualenv --python=python${PYTHON} VENV_TEST&&
. VENV_TEST/bin/activate&&
ase test ${ASE_CALCULATORS}";
fi
- if [ "${TRAVIS_OS_NAME}" == "osx" ]; then
bash -c "cd ${TRAVIS_BUILD_DIR}&&
virtualenv --python=python${PYTHON} VENV_TEST&&
. VENV_TEST/bin/activate&&
ase test ${ASE_CALCULATORS}";
fi
# install from sdist
after_success:
- if [ "${TRAVIS_OS_NAME}" == "linux" ]; then
docker exec -i "${CONTAINER}"
bash -c "cd ${TRAVIS_BUILD_DIR}&&
virtualenv --python=python${PYTHON} VENV_INSTALL&&
. VENV_INSTALL/bin/activate&&
python setup.py sdist&&
cd&&
pip install ${TRAVIS_BUILD_DIR}/dist/*.tar.gz&&
python -c 'import ase; print(ase.__file__)'";
fi
- if [ "${TRAVIS_OS_NAME}" == "osx" ]; then
bash -c "cd ${TRAVIS_BUILD_DIR}&&
virtualenv --python=python${PYTHON} VENV_INSTALL&&
. VENV_INSTALL/bin/activate&&
python setup.py sdist&&
cd&&
pip install ${TRAVIS_BUILD_DIR}/dist/*.tar.gz&&
python -c 'import ase; print(ase.__file__)'";
fi