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Corrected typos on reflection test #1886

Corrected typos on reflection test

Corrected typos on reflection test #1886

Workflow file for this run

name: "Backends"
on:
push:
# These jobs call a template workflow `backend-template.yml`, which performs
# all the necessary steps to run the regression tests of the backend.
# Variables listed under `with` are mandatory, except `test_lib_directory`
# and `test_interface_directory`, which are optional. `backend_name` must be
# unique, as it is used to identify the cache.
# See `backend-template.yml` for more details.
env:
# Set environment variables to make secrets available to the template steps
PULL_NAMD_KEY: secrets.PULL_NAMD_KEY
PULL_VMD_KEY: secrets.PULL_VMD_KEY
PULL_VMD_PLUGINS_KEY: secrets.PULL_VMD_PLUGINS_KEY
jobs:
lammps-develop:
name: LAMMPS (develop)
uses: ./.github/workflows/backend-template.yml
with:
backend_name: LAMMPS
backend_repo: lammps/lammps
backend_repo_ref: develop
container_name: CentOS9-devel
path_compile_script: devel-tools/compile-lammps.sh
test_lib_directory: lammps/tests/library
test_interface_directory: lammps/tests/interface
rpath_exe: install/bin/lmp
namd-devel:
name: NAMD (devel)
# Prevent running this job on PRs across different accounts, because
# secrets wouldn't be shared
uses: ./.github/workflows/backend-template.yml
with:
backend_name: NAMD
backend_repo: Colvars/namd
backend_repo_ref: devel
path_compile_script: devel-tools/compile-namd.sh
test_lib_directory: namd/tests/library
test_interface_directory: namd/tests/interface
rpath_exe: Linux-x86_64-g++.mpi/namd3
container_name: CentOS7-devel
secrets:
# Choice of license by UIUC prevents sharing the code, hence the secret
private_key: ${{ secrets.PULL_NAMD_KEY }}
vmd-cvs:
name: VMD
# Prevent running this job on PRs across different accounts, because
# secrets wouldn't be shared
uses: ./.github/workflows/backend-template.yml
with:
backend_name: VMD
backend_repo: Colvars/vmd
backend_repo_ref: master
container_name: CentOS7-devel
# Special variable for VMD test case since it's the only one
# which needs to checkout 2 repos
vmd_plugins_repo: Colvars/vmd-plugins
path_compile_script: devel-tools/compile-vmd.sh
test_interface_directory: vmd/tests/interface
rpath_exe: install/vmd
secrets:
# Per-repository secret
private_key: ${{ secrets.PULL_VMD_KEY }}
private_key_vmd_plugins: ${{ secrets.PULL_VMD_PLUGINS_KEY }}
gromacs-2022:
name: GROMACS (release-2022)
uses: ./.github/workflows/backend-template.yml
with:
backend_name: GROMACS-2022
backend_repo: gromacs/gromacs
backend_repo_ref: release-2022
container_name: CentOS9-devel
path_compile_script: devel-tools/compile-gromacs.sh
test_lib_directory: gromacs/tests/library
rpath_exe: install/bin/gmx_d
gromacs-2023:
name: GROMACS (release-2023)
uses: ./.github/workflows/backend-template.yml
with:
backend_name: GROMACS-2023
backend_repo: gromacs/gromacs
backend_repo_ref: release-2023
container_name: CentOS9-devel
path_compile_script: devel-tools/compile-gromacs.sh
test_lib_directory: gromacs/tests/library
rpath_exe: install/bin/gmx_d
gromacs-main:
name: GROMACS (main)
uses: ./.github/workflows/backend-template.yml
with:
backend_name: GROMACS-main
backend_repo: gromacs/gromacs
backend_repo_ref: main
container_name: CentOS9-devel
path_compile_script: devel-tools/compile-gromacs.sh
test_lib_directory: gromacs/tests/library
rpath_exe: install/bin/gmx_d