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Update pymatgen imports #30

Update pymatgen imports

Update pymatgen imports #30

Workflow file for this run

# This workflow will install Python dependencies, run tests and lint with a variety of Python versions
# For more information see: https://help.github.com/actions/language-and-framework-guides/using-python-with-github-actions
name: build
on:
push:
branches: [ master ]
pull_request:
branches: [ master ]
jobs:
build:
runs-on: ubuntu-latest
strategy:
matrix:
python-version: [3.7, 3.8]
steps:
- uses: actions/checkout@v2
- name: MongoDB in GitHub Actions
uses: supercharge/mongodb-github-action@1.3.0
- name: Set up Python ${{ matrix.python-version }}
uses: actions/setup-python@v2
with:
python-version: ${{ matrix.python-version }}
- name: Install dependencies
run: |
python -m pip install --upgrade pip
pip install .[test]
- name: Install AIRSS
run: |
sudo apt-get install gfortran liblapack-dev
wget -O airss-0.9.1.tar.gz https://www.dropbox.com/s/rdyq8df2kr8k77b/airss-0.9.1.tar.gz?dl=1
tar zxf airss-0.9.1.tar.gz
cd airss-0.9.1/
make buildcell
make cabal
make cryan
make pp3
cp src/buildcell/src/buildcell bin/
cp src/cryan/src/cryan bin/
cp src/cabal/src/cabal bin/
cp src/pp3/src/pp3 bin/
cd ../
- name: Test with pytest
run: |
export PATH=`pwd`/airss-0.9.1/bin:$PATH
which buildcell
pytest