forked from yfyh2013/ase
-
Notifications
You must be signed in to change notification settings - Fork 0
/
Copy path.travis.yml
176 lines (159 loc) · 6.76 KB
/
.travis.yml
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
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