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implementation of general nuclear potential #205

implementation of general nuclear potential

implementation of general nuclear potential #205

Workflow file for this run

name: Build and test ReMRChem
on:
push:
branches:
- master
- release/*
pull_request:
branches:
- master
- release/*
release:
types:
- created
env:
BUILD_TYPE: Release
jobs:
build:
runs-on: ${{ matrix.os }}
strategy:
matrix:
os: [ubuntu-latest, macos-latest]
python-version: [3.7, 3.8, 3.9, '3.10']
steps:
- uses: actions/checkout@v2
- name: Cache conda
uses: actions/cache@v1
env:
CACHE_NUMBER: 0 # Increase this value to reset cache if .github/xcfun-gha.yml has not changed
with:
path: ~/conda_pkgs_dir
key:
${{ matrix.os }}-${{ matrix.python-version }}-conda-${{ env.CACHE_NUMBER }}-${{ hashFiles('.github/remrchem-gha.yml') }}
- uses: conda-incubator/setup-miniconda@v2
with:
auto-update-conda: true
auto-activate-base: false
activate-environment: remrchem-gha
environment-file: .github/remrchem-gha.yml
channel-priority: true
python-version: ${{ matrix.python-version }}
use-only-tar-bz2: true # IMPORTANT: This needs to be set for caching to work properly!
- name: Test
shell: bash -l {0}
run: |
python -m pytest tests