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Order of arguments path and ase_atoms_list was switched in Dataset #394

Order of arguments path and ase_atoms_list was switched in Dataset

Order of arguments path and ase_atoms_list was switched in Dataset #394

Workflow file for this run

name: Testing
on: [push, pull_request]
jobs:
lint:
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v3
- name: Set up Python
uses: actions/setup-python@v4.7.0
with:
python-version: "3.9"
cache: pip
- 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: ${{ matrix.os }}
strategy:
matrix:
os: [ubuntu-latest]
python-version: ["3.8", "3.9", "3.10"]
steps:
- uses: actions/checkout@v3
- name: Install gcc
run: |
sudo apt-get update
sudo apt-get install -yq gcc
sudo apt-get install -yq gfortran
# cannot install cmake with apt-get, so using this action
- uses: lukka/get-cmake@latest
with:
cmakeVersion: "~3.25.0"
- name: Install kim-api
run: |
export KIMAPI_DIR=${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/setup-python@v4.7.0
with:
python-version: ${{ matrix.python-version }}
cache: pip
- name: Install
run: |
python -m pip install --upgrade pip
python -m pip install .[test]
- name: Test with pytest
run: |
cd tests
pytest