Added action that allows you to set the masses and charges from a PDB… #2942
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| name: CI | |
| on: | |
| push: | |
| pull_request: | |
| env: | |
| # on CI, better dump stack trace in case there is an error | |
| PLUMED_STACK_TRACE: yes | |
| # use two threads for openMP tests | |
| PLUMED_NUM_THREADS: 2 | |
| # these are used to build required packages | |
| CC: gcc | |
| CXX: g++ | |
| jobs: | |
| linux: | |
| uses: ./.github/workflows/linuxWF.yml | |
| secrets: inherit | |
| codecheck: | |
| uses: ./.github/workflows/codecheckWF.yml | |
| secrets: inherit | |
| mac: | |
| uses: ./.github/workflows/macWF.yml | |
| secrets: inherit | |
| docker: | |
| uses: ./.github/workflows/dockerWF.yml | |
| secrets: inherit | |
| conda: | |
| uses: ./.github/workflows/condaWF.yml | |
| secrets: inherit |