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Added the force fields necessary for Calvados2 #997

Added the force fields necessary for Calvados2

Added the force fields necessary for Calvados2 #997

Workflow file for this run

name: CI
on:
pull_request:
branches:
- master
push:
branches:
- master
tags: '*'
schedule:
- cron: '00 04 * * 1' # 4am every Monday
workflow_dispatch:
jobs:
test:
name: Julia ${{ matrix.version }} - ${{ matrix.os }} - ${{ matrix.test }} - ${{ github.event_name }}
runs-on: ${{ matrix.os }}
strategy:
fail-fast: false
matrix:
version:
- '1'
- 'lts'
- 'pre'
os:
- ubuntu-latest
arch:
- x64
test:
- NotGradients
- Gradients
steps:
- uses: actions/checkout@v4
- uses: julia-actions/setup-julia@v2
with:
version: ${{ matrix.version }}
arch: ${{ matrix.arch }}
- uses: julia-actions/cache@v2
- run: sudo apt-get update && sudo apt-get install -y xorg-dev mesa-utils xvfb libgl1 freeglut3-dev libxrandr-dev libxinerama-dev libxcursor-dev libxi-dev libxext-dev xsettingsd x11-xserver-utils
- uses: julia-actions/julia-buildpkg@v1
- uses: julia-actions/julia-runtest@v1
env:
GROUP: ${{ matrix.test }}
DISPLAY: ':0'
with:
prefix: "xvfb-run -s '-screen 0 1024x768x24'"
- uses: julia-actions/julia-processcoverage@v1
- uses: codecov/codecov-action@v4
with:
token: ${{ secrets.CODECOV_TOKEN }}
docs:
name: Documentation
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v4
- uses: julia-actions/setup-julia@v2
with:
version: '1'
- uses: julia-actions/cache@v2
- run: |
julia --project=docs -e '
using Pkg
Pkg.develop(PackageSpec(path=pwd()))
Pkg.instantiate()'
- run: |
julia --project=docs -e '
using Documenter: doctest
using Molly
doctest(Molly)'
- run: julia --project=docs docs/make.jl
env:
GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
DOCUMENTER_KEY: ${{ secrets.DOCUMENTER_KEY }}