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AlexanderKalistratovAlexanderKalistratov
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Merge branch 'master' into correlate_fft
2 parents f7df1ac + 44bb068 commit 4a715c7

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‎.github/workflows/build-sphinx.yml

Lines changed: 14 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -25,7 +25,7 @@ jobs:
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build-and-deploy:
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name: Build and Deploy Docs
2727

28-
runs-on: ubuntu-latest
28+
runs-on: ubuntu-22.04
2929

3030
permissions:
3131
# Needed to cancel any previous runs that are not completed for a given workflow
@@ -89,7 +89,6 @@ jobs:
8989
run: |
9090
sudo apt-get install enchant-2
9191
92-
# https://github.com/marketplace/actions/checkout
9392
- name: Install nvidia-cuda support drivers
9493
run: |
9594
sudo add-apt-repository ppa:graphics-drivers/ppa
@@ -102,8 +101,20 @@ jobs:
102101
with:
103102
fetch-depth: 0
104103

105-
# https://github.com/marketplace/actions/setup-miniconda
106104
- name: Setup miniconda
105+
id: setup_miniconda
106+
continue-on-error: true
107+
uses: conda-incubator/setup-miniconda@d2e6a045a86077fb6cad6f5adf368e9076ddaa8d # v3.1.0
108+
with:
109+
miniforge-version: latest
110+
use-mamba: 'true'
111+
channels: conda-forge
112+
conda-remove-defaults: 'true'
113+
python-version: ${{ env.python-ver }}
114+
activate-environment: 'docs'
115+
116+
- name: ReSetup miniconda
117+
if: steps.setup_miniconda.outcome == 'failure'
107118
uses: conda-incubator/setup-miniconda@d2e6a045a86077fb6cad6f5adf368e9076ddaa8d # v3.1.0
108119
with:
109120
miniforge-version: latest

‎.github/workflows/check-mkl-interfaces.yaml

Lines changed: 4 additions & 4 deletions
Original file line numberDiff line numberDiff line change
@@ -28,11 +28,11 @@ env:
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jobs:
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test_by_tag:
31-
name: Run on ['${{ matrix.os }}', python='${{ matrix.python }}'] with oneMKL tag
31+
name: Run tests with oneMKL tag
3232

3333
strategy:
3434
matrix:
35-
python: ['3.12']
35+
python: ['3.13']
3636
os: [ubuntu-22.04] # windows-2019 - no DFT support for Windows in oneMKL
3737

3838
permissions:
@@ -121,11 +121,11 @@ jobs:
121121
SYCL_CACHE_PERSISTENT: 1
122122

123123
test_by_branch:
124-
name: Run on ['${{ matrix.os }}', python='${{ matrix.python }}'] with oneMKL develop branch
124+
name: Run tests with oneMKL develop branch
125125

126126
strategy:
127127
matrix:
128-
python: ['3.12']
128+
python: ['3.13']
129129
os: [ubuntu-22.04] # windows-2019 - no DFT support for Windows in oneMKL
130130

131131
permissions:

‎.github/workflows/conda-package.yml

Lines changed: 72 additions & 27 deletions
Original file line numberDiff line numberDiff line change
@@ -13,6 +13,7 @@ env:
1313
# Follow oneAPI installation instruction for conda, since intel channel is not longer available
1414
# CHANNELS: '-c dppy/label/dev -c intel -c conda-forge --override-channels'
1515
CHANNELS: '-c dppy/label/dev -c https://software.repos.intel.com/python/conda/ -c conda-forge --override-channels'
16+
CONDA_BUILD_INDEX_ENV_PY_VER: '3.12' # conda does not support python 3.13
1617
CONDA_BUILD_VERSION: '24.11.2'
1718
CONDA_INDEX_VERSION: '0.5.0'
1819
RERUN_TESTS_ON_FAILURE: 'true'
@@ -24,11 +25,12 @@ env:
2425

2526
jobs:
2627
build:
27-
name: Build ['${{ matrix.os }}', python='${{ matrix.python }}']
28+
name: Build
2829

2930
strategy:
31+
fail-fast: false
3032
matrix:
31-
python: ['3.9', '3.10', '3.11', '3.12']
33+
python: ['3.9', '3.10', '3.11', '3.12', '3.13']
3234
os: [ubuntu-22.04, windows-2019]
3335

3436
permissions:
@@ -41,8 +43,6 @@ jobs:
4143
run:
4244
shell: ${{ matrix.os == 'windows-2019' && 'cmd /C CALL {0}' || 'bash -el {0}' }}
4345

44-
continue-on-error: true
45-
4646
steps:
4747
- name: Cancel Previous Runs
4848
uses: styfle/cancel-workflow-action@85880fa0301c86cca9da44039ee3bb12d3bedbfa # 0.12.1
@@ -55,18 +55,27 @@ jobs:
5555
fetch-depth: 0
5656

5757
- name: Setup miniconda
58+
id: setup_miniconda
59+
continue-on-error: true
5860
uses: conda-incubator/setup-miniconda@d2e6a045a86077fb6cad6f5adf368e9076ddaa8d # v3.1.0
5961
with:
6062
miniforge-version: latest
6163
use-mamba: 'true'
6264
channels: conda-forge
6365
conda-remove-defaults: 'true'
64-
python-version: ${{ matrix.python }}
66+
python-version: ${{ env.CONDA_BUILD_INDEX_ENV_PY_VER}}
6567
activate-environment: 'build'
6668

67-
# Sometimes `mamba install ...` fails due to slow download speed rate, so disable the check in mamba
68-
- name: Disable speed limit check in mamba
69-
run: echo "MAMBA_NO_LOW_SPEED_LIMIT=1" >> $GITHUB_ENV
69+
- name: ReSetup miniconda
70+
if: steps.setup_miniconda.outcome == 'failure'
71+
uses: conda-incubator/setup-miniconda@d2e6a045a86077fb6cad6f5adf368e9076ddaa8d # v3.1.0
72+
with:
73+
miniforge-version: latest
74+
use-mamba: 'true'
75+
channels: conda-forge
76+
conda-remove-defaults: 'true'
77+
python-version: ${{ env.CONDA_BUILD_INDEX_ENV_PY_VER}}
78+
activate-environment: 'build'
7079

7180
- name: Store conda paths as envs
7281
shell: bash -el {0}
@@ -75,6 +84,12 @@ jobs:
7584
echo "WHEELS_OUTPUT_FOLDER=$GITHUB_WORKSPACE${{ runner.os == 'Linux' && '/' || '\\' }}" >> $GITHUB_ENV
7685
7786
- name: Install conda-build
87+
id: install_conda_build
88+
continue-on-error: true
89+
run: mamba install conda-build=${{ env.CONDA_BUILD_VERSION}}
90+
91+
- name: ReInstall conda-build
92+
if: steps.install_conda_build.outcome == 'failure'
7893
run: mamba install conda-build=${{ env.CONDA_BUILD_VERSION}}
7994

8095
- name: Build conda package
@@ -83,33 +98,33 @@ jobs:
8398
MAX_BUILD_CMPL_MKL_VERSION: '2025.1a0'
8499

85100
- name: Upload artifact
86-
uses: actions/upload-artifact@6f51ac03b9356f520e9adb1b1b7802705f340c2b # v4.5.0
101+
uses: actions/upload-artifact@65c4c4a1ddee5b72f698fdd19549f0f0fb45cf08 # v4.6.0
87102
with:
88103
name: ${{ env.PACKAGE_NAME }} ${{ runner.os }} Python ${{ matrix.python }}
89104
path: ${{ env.CONDA_BLD }}${{ env.PACKAGE_NAME }}-*.tar.bz2
90105

91106
- name: Upload wheels artifact
92-
uses: actions/upload-artifact@6f51ac03b9356f520e9adb1b1b7802705f340c2b # v4.5.0
107+
uses: actions/upload-artifact@65c4c4a1ddee5b72f698fdd19549f0f0fb45cf08 # v4.6.0
93108
with:
94109
name: ${{ env.PACKAGE_NAME }} ${{ runner.os }} Wheels Python ${{ matrix.python }}
95110
path: ${{ env.WHEELS_OUTPUT_FOLDER }}${{ env.PACKAGE_NAME }}-*.whl
96111

97112
test_linux:
98-
name: Test ['ubuntu-latest', python='${{ matrix.python }}']
113+
name: Test
99114

100115
needs: build
101116

102-
runs-on: ubuntu-latest
117+
runs-on: ${{ matrix.os }}
103118

104119
defaults:
105120
run:
106121
shell: bash -el {0}
107122

108123
strategy:
124+
fail-fast: false
109125
matrix:
110-
python: ['3.9', '3.10', '3.11', '3.12']
111-
112-
continue-on-error: true
126+
python: ['3.9', '3.10', '3.11', '3.12', '3.13']
127+
os: [ubuntu-latest]
113128

114129
env:
115130
channel-path: '${{ github.workspace }}/channel/'
@@ -130,13 +145,26 @@ jobs:
130145
tar -xvf ${{ env.pkg-path-in-channel }}/${{ env.PACKAGE_NAME }}-*.tar.bz2 -C ${{ env.extracted-pkg-path }}
131146
132147
- name: Setup miniconda
148+
id: setup_miniconda
149+
continue-on-error: true
133150
uses: conda-incubator/setup-miniconda@d2e6a045a86077fb6cad6f5adf368e9076ddaa8d # v3.1.0
134151
with:
135152
miniforge-version: latest
136153
use-mamba: 'true'
137154
channels: conda-forge
138155
conda-remove-defaults: 'true'
139-
python-version: ${{ matrix.python }}
156+
python-version: ${{ env.CONDA_BUILD_INDEX_ENV_PY_VER}}
157+
activate-environment: ${{ env.TEST_ENV_NAME }}
158+
159+
- name: ReSetup miniconda
160+
if: steps.setup_miniconda.outcome == 'failure'
161+
uses: conda-incubator/setup-miniconda@d2e6a045a86077fb6cad6f5adf368e9076ddaa8d # v3.1.0
162+
with:
163+
miniforge-version: latest
164+
use-mamba: 'true'
165+
channels: conda-forge
166+
conda-remove-defaults: 'true'
167+
python-version: ${{ env.CONDA_BUILD_INDEX_ENV_PY_VER}}
140168
activate-environment: ${{ env.TEST_ENV_NAME }}
141169

142170
- name: Install conda-index
@@ -158,11 +186,24 @@ jobs:
158186
echo PACKAGE_VERSION=${PACKAGE_VERSION}
159187
echo "PACKAGE_VERSION=$PACKAGE_VERSION" >> $GITHUB_ENV
160188
189+
# conda-index does not support python 3.13
190+
- name: Remove conda-index
191+
run: mamba remove conda-index
192+
161193
- name: Install dpnp
162-
run: mamba install ${{ env.PACKAGE_NAME }}=${{ env.PACKAGE_VERSION }} pytest python=${{ matrix.python }} ${{ env.TEST_CHANNELS }}
194+
id: install_dpnp
195+
continue-on-error: true
196+
run: |
197+
mamba install ${{ env.PACKAGE_NAME }}=${{ env.PACKAGE_VERSION }} pytest python=${{ matrix.python }} ${{ env.TEST_CHANNELS }}
198+
env:
199+
TEST_CHANNELS: '-c ${{ env.channel-path }} ${{ env.CHANNELS }}'
200+
201+
- name: ReInstall dpnp
202+
if: steps.install_dpnp.outcome == 'failure'
203+
run: |
204+
mamba install ${{ env.PACKAGE_NAME }}=${{ env.PACKAGE_VERSION }} pytest python=${{ matrix.python }} ${{ env.TEST_CHANNELS }}
163205
env:
164206
TEST_CHANNELS: '-c ${{ env.channel-path }} ${{ env.CHANNELS }}'
165-
MAMBA_NO_LOW_SPEED_LIMIT: 1
166207

167208
- name: List installed packages
168209
run: mamba list
@@ -193,21 +234,21 @@ jobs:
193234
python -m pytest -ra --pyargs ${{ env.PACKAGE_NAME }}.tests
194235
195236
test_windows:
196-
name: Test ['windows-2019', python='${{ matrix.python }}']
237+
name: Test
197238

198239
needs: build
199240

200-
runs-on: windows-2019
241+
runs-on: ${{ matrix.os }}
201242

202243
defaults:
203244
run:
204245
shell: cmd /C CALL {0}
205246

206247
strategy:
248+
fail-fast: false
207249
matrix:
208-
python: ['3.9', '3.10', '3.11', '3.12']
209-
210-
continue-on-error: true
250+
python: ['3.9', '3.10', '3.11', '3.12', '3.13']
251+
os: [windows-2019]
211252

212253
env:
213254
channel-path: '${{ github.workspace }}\channel\'
@@ -244,7 +285,7 @@ jobs:
244285
use-mamba: 'true'
245286
channels: conda-forge
246287
conda-remove-defaults: 'true'
247-
python-version: ${{ matrix.python }}
288+
python-version: ${{ env.CONDA_BUILD_INDEX_ENV_PY_VER}}
248289
activate-environment: ${{ env.TEST_ENV_NAME }}
249290

250291
- name: Store conda paths as envs
@@ -279,6 +320,10 @@ jobs:
279320
echo PACKAGE_VERSION: %PACKAGE_VERSION%
280321
(echo PACKAGE_VERSION=%PACKAGE_VERSION%) >> %GITHUB_ENV%
281322
323+
# conda-index does not support python 3.13
324+
- name: Remove conda-index
325+
run: mamba remove conda-index
326+
282327
- name: Install dpnp
283328
run: |
284329
@echo on
@@ -325,13 +370,13 @@ jobs:
325370
python -m pytest -ra --pyargs ${{ env.PACKAGE_NAME }}.tests
326371
327372
upload:
328-
name: Upload ['${{ matrix.os }}', python='${{ matrix.python }}']
373+
name: Upload
329374

330375
needs: [test_linux, test_windows]
331376

332377
strategy:
333378
matrix:
334-
python: ['3.9', '3.10', '3.11', '3.12']
379+
python: ['3.9', '3.10', '3.11', '3.12', '3.13']
335380
os: [ubuntu-22.04, windows-2019]
336381

337382
runs-on: ${{ matrix.os }}
@@ -406,7 +451,7 @@ jobs:
406451
channels: conda-forge
407452
conda-remove-defaults: 'true'
408453
run-post: 'false'
409-
python-version: '3.12'
454+
python-version: '3.13'
410455
activate-environment: 'cleanup'
411456

412457
- name: Install anaconda-client

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