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upload ref_vib.out missing #70

upload ref_vib.out missing

upload ref_vib.out missing #70

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