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on-the-fly FOM orbital snapshot saving #35

on-the-fly FOM orbital snapshot saving

on-the-fly FOM orbital snapshot saving #35

Workflow file for this run

name: CI
on:
workflow_dispatch: {}
pull_request:
types: [opened, labeled, synchronize]
branches:
- 'ROMFPMD'
# push:
# branches:
# - release
jobs:
docker-image:
uses: ./.github/workflows/docker_image.yml
build:
runs-on: ubuntu-latest
needs: [docker-image]
container:
image: ghcr.io/llnl/mgmol/mgmol_env:latest
options: --user 1001 --privileged
volumes:
- /mnt:/mnt
steps:
- name: Cancel previous runs
uses: styfle/[email protected]
with:
access_token: ${{ github.token }}
# - name: Set Swap Space
# uses: pierotofy/set-swap-space@master
# with:
# swap-size-gb: 10
- name: Check out mgmol
uses: actions/checkout@v1
with:
submodules: 'true'
- name: cmake
run: |
mkdir build
cd build
cmake .. -DCMAKE_CXX_COMPILER=mpic++ -DCMAKE_Fortran_COMPILER=mpif90 -DMPIEXEC_PREFLAGS="--oversubscribe"
- name: make
run: |
cd build && make -j 4
- name: test
run: |
cd build && ctest --no-compress-output -V -T Test -I 1,20,1
# code-style:
# runs-on: ubuntu-latest
# needs: [docker-image]
# container:
# image: ghcr.io/llnl/mgmol/mgmol_env:latest
# options: --user 1001 --privileged
# volumes:
# - /mnt:/mnt
# steps:
# - name: Cancel previous runs
# uses: styfle/[email protected]
# with:
# access_token: ${{ github.token }}
# - name: Check out mgmol
# uses: actions/checkout@v1
# with:
# submodules: 'true'
# - name: cmake
# run: |
# mkdir build
# cd build
# cmake .. -DCMAKE_CXX_COMPILER=mpic++ -DCMAKE_Fortran_COMPILER=mpif90 -DMGMOL_WITH_CLANG_FORMAT=ON
# - name: make
# run: |
# cd build && make format