mirror of
https://github.com/pfloos/quack
synced 2024-12-22 20:34:46 +01:00
51 lines
1012 B
YAML
51 lines
1012 B
YAML
name: QuAcK Compilation
|
|
|
|
|
|
on:
|
|
push:
|
|
branches:
|
|
- ci
|
|
pull_request:
|
|
branches:
|
|
- master
|
|
schedule:
|
|
- cron: "42 19 * * 6"
|
|
|
|
|
|
jobs:
|
|
|
|
build:
|
|
runs-on: ubuntu-20.04
|
|
name: Dependencies
|
|
|
|
steps:
|
|
- name: Checkout repository
|
|
uses: actions/checkout@v3
|
|
|
|
- name: Install dependencies
|
|
run: |
|
|
sudo apt-get update
|
|
sudo apt-get install -y gfortran gcc liblapack-dev libblas-dev wget python3 make m4 pkg-config
|
|
|
|
- name: Configuration
|
|
run: |
|
|
./configure -i ninja || :
|
|
|
|
- name: Compilation
|
|
run: |
|
|
bash -c "source quack.rc ; cd src ; make ; cd .. "
|
|
|
|
- name: Set up Python
|
|
uses: actions/setup-python@v4
|
|
with:
|
|
python-version: '3.x'
|
|
|
|
- name: Install Python dependencies
|
|
run: |
|
|
python -m pip install --upgrade pip
|
|
pip install pyscf
|
|
|
|
- name: Run tests
|
|
run: |
|
|
bash -c "source quack.rc ; cd tests ; python create_database.py ; python lunch_bench.py -s light -t 1e-1"
|