forked from Colvars/colvars
-
Notifications
You must be signed in to change notification settings - Fork 0
109 lines (97 loc) · 3.58 KB
/
test-backends.yml
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
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