-
Notifications
You must be signed in to change notification settings - Fork 192
341 lines (273 loc) · 10.4 KB
/
test-install.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
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
name: test-install
on:
pull_request:
paths:
- environment.yml
- '**/requirements*.txt'
- pyproject.toml
- util/dependency_management.py
- .github/workflows/test-install.yml
branches-ignore: [gh-pages]
schedule:
- cron: 30 02 * * * # nightly build
# https://docs.github.com/en/actions/using-jobs/using-concurrency
concurrency:
# only cancel in-progress jobs or runs for the current workflow - matches against branch & tags
group: ${{ github.workflow }}-${{ github.ref }}
cancel-in-progress: true
jobs:
validate-dependency-specification:
# Note: The specification is also validated by the pre-commit hook.
if: github.repository == 'aiidateam/aiida-core'
runs-on: ubuntu-latest
timeout-minutes: 5
steps:
- uses: actions/checkout@v4
- name: Set up Python 3.9
uses: actions/setup-python@v5
with:
python-version: '3.9'
- name: Install utils/ dependencies
run: pip install -r utils/requirements.txt
- name: Validate
run: |
python ./utils/dependency_management.py check-requirements
python ./utils/dependency_management.py validate-all
resolve-pip-dependencies:
# Check whether the environments defined in the requirements/* files are
# resolvable.
needs: [validate-dependency-specification]
if: github.repository == 'aiidateam/aiida-core'
runs-on: ubuntu-latest
timeout-minutes: 5
strategy:
fail-fast: false
matrix:
python-version: ['3.9', '3.10', '3.11', '3.12']
steps:
- uses: actions/checkout@v4
- name: Set up Python ${{ matrix.python-version }}
uses: actions/setup-python@v5
with:
python-version: ${{ matrix.python-version }}
- name: Resolve dependencies from requirements file.
run: |
pip install --dry-run --ignore-installed -r requirements/requirements-py-${{ matrix.python-version }}.txt
create-conda-environment:
# Verify that we can create a valid conda environment from the environment.yml file.
needs: [validate-dependency-specification]
if: github.repository == 'aiidateam/aiida-core'
runs-on: ubuntu-latest
timeout-minutes: 5
steps:
- uses: actions/checkout@v4
- name: Setup Conda
uses: conda-incubator/setup-miniconda@v3
with:
channels: conda-forge
- run: conda --version
- name: Test conda environment
run: |
conda env create --dry-run -f environment.yml -n test-environment
install-with-pip:
if: github.repository == 'aiidateam/aiida-core'
runs-on: ubuntu-latest
timeout-minutes: 15
strategy:
fail-fast: false
matrix:
extras: ['', '[atomic_tools,docs,notebook,rest,tests,tui]']
steps:
- uses: actions/checkout@v4
- name: Set up Python 3.9
uses: actions/setup-python@v5
with:
python-version: '3.9'
- name: Pip install
id: pip_install
run: |
python -m pip --version
python -m pip install -e .${{ matrix.extras }}
python -m pip freeze
- name: Test importing aiida
if: steps.pip_install.outcome == 'success'
run: python -c "import aiida"
install-with-conda:
# Verify that we can install AiiDA with conda.
if: github.repository == 'aiidateam/aiida-core'
runs-on: ubuntu-latest
timeout-minutes: 25
strategy:
fail-fast: false
matrix:
python-version: ['3.9', '3.10', '3.11', '3.12']
# Not being able to install with conda on a specific Python version is
# not sufficient to fail the run, but something we want to be aware of.
optional: [true]
include:
# Installing with conda without specyfing the Python version should
# not fail since this is advocated as part of the user documentation.
- python-version: ''
optional: false
steps:
- uses: actions/checkout@v4
- name: Setup Conda
uses: conda-incubator/setup-miniconda@v3
with:
channels: conda-forge
# Use mamba because conda is running out of memory
# see https://github.com/conda-incubator/setup-miniconda/issues/274
- run: |
conda install -n base conda-libmamba-solver
conda config --set solver libmamba
# Temporary workaround: https://github.com/mamba-org/mamba/issues/488
- run: rm /usr/share/miniconda/pkgs/cache/*.json
- name: Test installation
id: test_installation
continue-on-error: ${{ matrix.optional }}
run: >
conda create --dry-run -n test-install aiida-core
${{ matrix.python-version && format('python={0}', matrix.python-version) }}
- name: Warn about failure
if: steps.test_installation.outcome == 'Failure'
run: >
echo "::warning ::Failed conda installation for
Python ${{ matrix.python-version }}."
tests:
needs: [install-with-pip]
runs-on: ubuntu-latest
timeout-minutes: 45
strategy:
fail-fast: false
matrix:
python-version: ['3.9', '3.10', '3.11', '3.12']
services:
postgres:
image: postgres:10
env:
POSTGRES_DB: test_aiida
POSTGRES_PASSWORD: ''
POSTGRES_HOST_AUTH_METHOD: trust
options: >-
--health-cmd pg_isready
--health-interval 10s
--health-timeout 5s
--health-retries 5
ports:
- 5432:5432
rabbitmq:
image: rabbitmq:3.8.14-management
ports:
- 5672:5672
- 15672:15672
slurm:
image: xenonmiddleware/slurm:17
ports:
- 5001:22
steps:
- uses: actions/checkout@v4
- name: Install system dependencies
run: sudo apt update && sudo apt install postgresql graphviz
- name: Install aiida-core
uses: ./.github/actions/install-aiida-core
with:
python-version: ${{ matrix.python-version }}
extras: '[atomic_tools,docs,notebook,rest,tests,tui]'
from-requirements: 'false'
- name: Setup AiiDA environment
run: .github/workflows/setup.sh
- name: Run test suite
env:
AIIDA_TEST_PROFILE: test_aiida
AIIDA_WARN_v3: 1
run: pytest --db-backend psql tests -m 'not nightly' tests/
- name: Freeze test environment
run: pip freeze | sed '1d' | tee requirements-py-${{ matrix.python-version }}.txt
# Add python-version specific requirements/ file to the requirements.txt artifact.
# This artifact can be used in the next step to automatically create a pull request
# updating the requirements (in case they are inconsistent with the pyproject.toml file).
- uses: actions/upload-artifact@v4
with:
name: requirements-py-${{ matrix.python-version }}.txt
path: requirements-py-${{ matrix.python-version }}.txt
# Check whether the requirements/ files are consistent with the dependency specification in the pyproject.toml file.
# If the check fails, warn the user via a comment and try to automatically create a pull request to update the files
# (does not work on pull requests from forks).
check-requirements:
needs: tests
runs-on: ubuntu-latest
timeout-minutes: 5
steps:
- uses: actions/checkout@v4
- name: Set up Python 3.9
uses: actions/setup-python@v5
with:
python-version: 3.9
- name: Install utils/ dependencies
run: pip install -r utils/requirements.txt
- name: Check consistency of requirements/ files
id: check_reqs
continue-on-error: true
run: python ./utils/dependency_management.py check-requirements DEFAULT --no-github-annotate
#
# The following steps are only executed if the consistency check failed.
#
- name: Create commit comment
if: steps.check_reqs.outcome == 'Failure' # only run if requirements/ are inconsistent
uses: peter-evans/commit-comment@v3
with:
token: ${{ secrets.GITHUB_TOKEN }}
path: pyproject.toml
body: |
The requirements/ files are inconsistent!
# Check out the base branch so that we can prepare the pull request.
- name: Checkout base branch
if: steps.check_reqs.outcome == 'Failure' # only run if requirements/ are inconsistent
uses: actions/checkout@v4
with:
ref: ${{ github.head_ref }}
clean: true
- name: Download requirements.txt files
if: steps.check_reqs.outcome == 'Failure' # only run if requirements/ are inconsistent
uses: actions/download-artifact@v4
with:
pattern: requirements-py-*
merge-multiple: true
path: requirements
- name: Commit requirements files
if: steps.check_reqs.outcome == 'Failure' # only run if requirements/ are inconsistent
run: |
git add requirements/*
- name: Create pull request for updated requirements files
if: steps.check_reqs.outcome == 'Failure' # only run if requirements/ are inconsistent
id: create_update_requirements_pr
continue-on-error: true
uses: peter-evans/create-pull-request@v7
with:
branch: update-requirements
commit-message: Automated update of requirements/ files.
title: Update requirements/ files.
body: |
Update requirements files to ensure that they are consistent
with the dependencies specified in the 'pyproject.toml' file.
Please note, that this pull request was likely created to
resolve the inconsistency for a specific dependency, however
other versions that have changed since the last update will
be included as part of this commit as well.
Click [here](https://github.com/aiidateam/aiida-core/wiki/AiiDA-Dependency-Management) for more information.
- name: Create PR comment on success
if: steps.create_update_requirements_pr.outcome == 'Success'
uses: peter-evans/create-or-update-comment@v4
with:
issue-number: ${{ github.event.number }}
body: |
I automatically created a pull request (#${{ steps.create_update_requirements_pr.outputs.pr_number }}) that adapts the
requirements/ files according to the dependencies specified in the 'pyproject.toml' file.
- name: Create PR comment on failure
if: steps.create_update_requirements_pr.outcome == 'Failure'
uses: peter-evans/create-or-update-comment@v4
with:
issue-number: ${{ github.event.number }}
body: |
Please update the requirements/ files to ensure that they
are consistent with the dependencies specified in the 'pyproject.toml' file.