Better docstring for ffrotations #654
Workflow file for this run
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name: Regression and unitary tests | |
on: [push, pull_request] | |
jobs: | |
build: | |
strategy: | |
matrix: | |
python-version: [3.8.5] | |
os: ["ubuntu-22.04"] | |
runs-on: "${{ matrix.os }}" | |
name: Regression and unitary tests | |
steps: | |
- uses: actions/checkout@v2 | |
- name: Setup conda | |
uses: s-weigand/setup-conda@v1 | |
with: | |
update-conda: true | |
python-version: ${{ matrix.python-version }} | |
conda-channels: anaconda, conda-forge | |
- run: conda --version | |
- run: which python | |
- name: Install dependencies and Project | |
run: | | |
#conda config --add channels conda-forge | |
conda config --set channel_priority strict | |
conda install -c conda-forge --file requirements.txt | |
conda install scipy | |
conda install pip | |
pip install . | |
pip install ase==3.22.1 | |
echo "${GITHUB_WORKSPACE}/bin" >> $GITHUB_PATH | |
- name: Install Gfortran and Compile Driver | |
shell: bash | |
run: | | |
sudo apt-get update | |
sudo apt-get install gfortran | |
cd drivers/f90 | |
make | |
- name: unit-tests | |
shell: bash | |
run: | | |
pwd | |
i-pi-tests -t unit | |
- name: regtests | |
shell: bash | |
run: | | |
pwd | |
i-pi-tests -t regtests | |