-
Notifications
You must be signed in to change notification settings - Fork 81
140 lines (116 loc) · 3.89 KB
/
CI.yaml
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
name: CI
on:
push:
branches:
- "main"
pull_request:
branches:
- "main"
schedule:
- cron: "0 0 * * *"
jobs:
test:
if: github.event.pull_request.draft == false
name: mBuild Tests
runs-on: ${{ matrix.os }}
strategy:
fail-fast: false
matrix:
os: [macOS-latest, ubuntu-latest, windows-latest]
python-version: ["3.9", "3.10", "3.11"]
exclude:
- os: windows-latest
python-version: 3.8
defaults:
run:
shell: bash -l {0}
steps:
- uses: actions/checkout@v3
name: Checkout Branch / Pull Request
- name: Install Mamba (Linux)
uses: mamba-org/setup-micromamba@v1
with:
environment-file: environment-dev.yml
python-version: ${{ matrix.python-version }}
if: runner.os != 'Windows'
- name: Install Mamba (Windows)
uses: mamba-org/setup-micromamba@v1
with:
environment-file: environment-dev-win.yml
python-version: ${{ matrix.python-version }}
if: runner.os == 'Windows'
- name: Install Package
run: python -m pip install -e .
- name: Test (OS -> ${{ matrix.os }} / Python -> ${{ matrix.python-version }})
run: python -m pytest -v --cov=mbuild --cov-report=xml --cov-append --cov-config=setup.cfg --color yes --pyargs mbuild
- name: Tests for HOOMD-blue (V3)
run: |
micromamba install -c conda-forge "hoomd>3"
python -m pytest -v --cov=mbuild --cov-report=xml --cov-append --cov-config=setup.cfg --color yes mbuild/tests/test_hoomd.py
if: runner.os == 'Linux'
- name: Upload Coverage Report
uses: codecov/codecov-action@v2
with:
name: mBuild-Coverage
verbose: true
files: ./coverage.xml
bleeding-edge-test:
if: github.event.pull_request.draft == false
name: Bleeding Edge mosdef Tests for mBuild
runs-on: ubuntu-latest
defaults:
run:
shell: bash -l {0}
steps:
- uses: actions/checkout@v3
name: Checkout Branch / Pull Request
- name: Install Mamba
uses: mamba-org/setup-micromamba@v1
with:
environment-file: environment-dev.yml
python-version: "3.10"
- name: Clone Foyer and GMSO
run: |
git clone https://github.com/mosdef-hub/foyer.git
git clone https://github.com/mosdef-hub/gmso.git
- name: Update Environment with foyer/gmso Dependencies
run: |
micromamba update --name mbuild-dev --file foyer/environment.yml
micromamba update --name mbuild-dev --file gmso/environment.yml
- name: Install Packages from Source
run: |
pip install -e foyer
pip install -e gmso
pip install -e .
- name: Run Bleeding Edge Tests
run: |
python -m pytest -v --color yes --pyargs mbuild
docker:
runs-on: ubuntu-latest
needs: test
name: Build Docker Image
if: github.event_name != 'pull_request'
steps:
- name: Set up Docker Buildx
uses: docker/setup-buildx-action@v1
- name: Login to DockerHub
uses: docker/login-action@v1
with:
username: ${{ secrets.DOCKERHUB_USERNAME }}
password: ${{ secrets.DOCKERHUB_PASSWORD }}
- name: Get Tagged Version
run: |
echo "DOCKER_TAGS=mosdef/mbuild:${GITHUB_REF_NAME}, mosdef/mbuild:stable" >> $GITHUB_ENV
if: github.ref_type == 'tag'
- name: Get Push Version
run: |
echo "DOCKER_TAGS=mosdef/mbuild:${GITHUB_REF_NAME}, mosdef/mbuild:latest" >> $GITHUB_ENV
if: github.ref_type == 'branch'
- name: Docker Image Info
run: |
echo Docker Image tags: ${DOCKER_TAGS}
- name: Build and Push
uses: docker/build-push-action@v2
with:
push: true
tags: ${{ env.DOCKER_TAGS }}