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update unit test

update unit test #82

Workflow file for this run

name: DeePTB tests.
on:
pull_request:
paths-ignore:
- 'docs/**'
jobs:
build:
runs-on: self-hosted
outputs:
output1: ${{ steps.s1.outputs.test }}
output2: ${{ steps.s2.outputs.test }}
if: github.repository_owner == 'deepmodeling'
container: ghcr.io/deepmodeling/deeptb:latest
steps:
- name: Checkout
id: s1
uses: actions/checkout@v3
with:
ref: "refs/pull/${{ github.event.number }}/merge"
- name: Install DeePTB & Run Test
id: s2
run: |
bash ut.sh >> "$GITHUB_OUTPUT"
job2:
runs-on: self-hosted
needs: build
steps:
- env:
OUTPUT2: ${{needs.build.outputs.output2}}
OUTPUT3: ${{needs.build.outputs.output3}}
run: echo "$OUTPUT1 $OUTPUT2"