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Update GH testing
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mjwen committed Feb 23, 2024
1 parent 8edc86c commit f9f547b
Showing 1 changed file with 28 additions and 39 deletions.
67 changes: 28 additions & 39 deletions .github/workflows/testing.yml
Original file line number Diff line number Diff line change
Expand Up @@ -7,70 +7,59 @@ jobs:
runs-on: ubuntu-latest

steps:
- uses: actions/checkout@v3
- uses: actions/checkout@v4

- name: Set up Python
uses: actions/setup-python@v4.7.0
uses: actions/setup-python@v5.0.0
with:
python-version: "3.9"
cache: pip
python-version: "3.10"

- name: Install dependencies
run: |
python -m pip install --upgrade pip
pip install pre-commit
- name: Lint
run: pre-commit run --show-diff-on-failure --all-files

test:
runs-on: ${{ matrix.os }}
strategy:
matrix:
os: [ubuntu-latest]
os: [ubuntu-latest, macos-latest]
python-version: ["3.8", "3.9", "3.10"]

steps:
- uses: actions/checkout@v3

- name: Install gcc
run: |
sudo apt-get update
sudo apt-get install -yq gcc
sudo apt-get install -yq gfortran
runs-on: ${{ matrix.os }}

# cannot install cmake with apt-get, so using this action
- uses: lukka/get-cmake@latest
steps:
- uses: actions/checkout@v4
- name: Set up micromamba
uses: mamba-org/[email protected]
with:
cmakeVersion: "~3.25.0"
# the create command looks like this:
# `micromamba create -n test-env python=<the corresponding version> kim-api=2.3.0`
environment-name: test-env
cache-environment: true
create-args: >-
python=${{ matrix.python-version }}
kim-api=2.3.0
- name: Install kim-api
- name: Install KIM model
shell: bash -el {0}
run: |
export KIMAPI_DIR=${PWD}
export KIM_API_VERSION="2.3.0"
cd $KIMAPI_DIR && cd ..
wget http://s3.openkim.org/kim-api/kim-api-$KIM_API_VERSION.txz
tar Jxvf kim-api-$KIM_API_VERSION.txz
cd kim-api-$KIM_API_VERSION
mkdir build && cd build
cmake .. -DCMAKE_BUILD_TYPE=Release
make -j2
sudo make install
sudo ldconfig
# install SW driver and model
cd $KIMAPI_DIR
kim-api-collections-management install user SW_StillingerWeber_1985_Si__MO_405512056662_006
- name: Set up Python ${{ matrix.python-version }}
uses: actions/[email protected]
with:
python-version: ${{ matrix.python-version }}
cache: pip

- name: Install
shell: bash -el {0}
run: |
python -m pip install --upgrade pip
python -m pip install .[test]
- name: Test with pytest
# TODO, here, we install ptemcee from Yonatan's fork. See setup.py for details.
python -m pip uninstall --yes ptemcee
python -m pip install git+https://github.com/yonatank93/ptemcee.git@enhance_v1.0.0
- name: Run tests
shell: bash -el {0}
run: |
cd tests
pytest --cov=kliff --cov-report=xml
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