-
Notifications
You must be signed in to change notification settings - Fork 15
/
Copy path.gitlab-ci.yml
191 lines (169 loc) · 4.59 KB
/
.gitlab-ci.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
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
image: gitlab.chab.ethz.ch:4567/reiher/docker/qcmaquis-gcc:latest
# Pipeline that compiles the code with increasingly complex models
stages:
- buildBasic
- testBasic
- buildAdvanced
- testAdvanced
- buildFinal
- testFinal
# Conventional electronic-structure tests
build-electronic:
stage: buildBasic
tags:
- default_docker
script:
- mkdir buildElectronic && cd buildElectronic
- cmake -DQCMAQUIS_TESTS=ON -DBUILD_SYMMETRIES="TwoU1;TwoU1PG;SU2U1;SU2U1PG" -DCMAKE_BUILD_TYPE=Release -DBUILD_DMRG_FEAST=ON -DBUILD_SRCAS=ON ../dmrg
- make -j2
artifacts:
paths:
- buildElectronic/
expire_in: 6h
when: always
testElectronic:
stage: testBasic
needs: ["build-electronic"]
tags:
- default_docker
script:
- cd buildElectronic
- make CTEST_OUTPUT_ON_FAILURE=1 test
# Relativistic electronic-structure tests
build-relativistic:
stage: buildAdvanced
needs: ["testElectronic"]
tags:
- default_docker
script:
- mkdir buildRelativistic && cd buildRelativistic
- cmake -DQCMAQUIS_TESTS=ON -DBUILD_SYMMETRIES="TwoU1;TwoU1PG;SU2U1;SU2U1PG;U1DG" -DCMAKE_BUILD_TYPE=Release ../dmrg
- make -j2
artifacts:
paths:
- buildRelativistic/
expire_in: 6h
when: always
testRelativistic:
stage: testAdvanced
needs: ["build-relativistic"]
tags:
- default_docker
script:
- cd buildRelativistic
- make CTEST_OUTPUT_ON_FAILURE=1 test
# Non-electronic-structure tests
buildPreBO:
stage: buildFinal
needs: ["testRelativistic"]
tags:
- default_docker
script:
- mkdir buildNU1 && cd buildNU1
- cmake -DQCMAQUIS_TESTS=ON -DBUILD_SYMMETRIES="TwoU1;TwoU1PG;SU2U1;SU2U1PG;U1DG;NU1" -DCMAKE_BUILD_TYPE=Release -DBUILD_PREBO=ON -DDMRG_NUMSYMM=5 ../dmrg
- make -j2
artifacts:
paths:
- buildNU1/
expire_in: 6h
when: always
testPreBO:
stage: testFinal
needs: ["buildPreBO"]
tags:
- default_docker
script:
- cd buildNU1
- make CTEST_OUTPUT_ON_FAILURE=1 test
buildVibrationalHamiltonians:
stage: buildFinal
needs: ["testRelativistic"]
tags:
- default_docker
script:
- mkdir buildVibrational && cd buildVibrational
- cmake -DQCMAQUIS_TESTS=ON -DBUILD_SYMMETRIES="NONE" -DCMAKE_BUILD_TYPE=Release -DBUILD_VIBRATIONAL=ON -DBUILD_DMRG_FEAST=ON -DBUILD_SRCAS=ON -DBUILD_MPS2CI=ON -DDMRG_ORDERNONE=12 ../dmrg
- make -j2
artifacts:
paths:
- buildVibrational/
expire_in: 6h
when: always
testVibrationalHamiltonians:
stage: testFinal
needs: ["buildVibrationalHamiltonians"]
tags:
- default_docker
script:
- cd buildVibrational
- make CTEST_OUTPUT_ON_FAILURE=1 test
buildVibronicHamiltonians:
stage: buildFinal
needs: ["testRelativistic"]
tags:
- default_docker
script:
- mkdir buildVibronic && cd buildVibronic
- cmake -DQCMAQUIS_TESTS=ON -DBUILD_SYMMETRIES="TwoU1PG;SU2U1PG;NU1;U1" -DCMAKE_BUILD_TYPE=Release -DBUILD_VIBRONIC=ON ../dmrg
- make -j2
artifacts:
paths:
- buildVibronic/
expire_in: 6h
when: always
testVibronicHamiltonians:
stage: testFinal
needs: ["buildVibronicHamiltonians"]
tags:
- default_docker
script:
- cd buildVibronic
- make CTEST_OUTPUT_ON_FAILURE=1 test
# +-----------------------------+
# Pipeline for the TD-DMRG case
# +-----------------------------+
# Tests TD-DMRG with Electronic Hamiltonians
build-TD-conventional:
stage: buildBasic
tags:
- default_docker
script:
- mkdir buildTDConventional && cd buildTDConventional
- cmake -DQCMAQUIS_TESTS=ON -DBUILD_SYMMETRIES="TwoU1;TwoU1PG;SU2U1;SU2U1PG" -DCMAKE_BUILD_TYPE=Release -DBUILD_DMRG_EVOLVE=ON ../dmrg
- make -j2
artifacts:
paths:
- buildTDConventional/
expire_in: 6h
when: always
testTDConventional:
stage: testBasic
needs: ["build-TD-conventional"]
tags:
- default_docker
script:
- cd buildTDConventional
- make CTEST_OUTPUT_ON_FAILURE=1 test
# Tests TD-DMRG with all Hamiltonians
build-TD-with-all-symmetries:
stage: buildAdvanced
needs: ["testTDConventional"]
tags:
- default_docker
script:
- mkdir buildTDAllSymmetries && cd buildTDAllSymmetries
- cmake -DQCMAQUIS_TESTS=ON -DBUILD_SYMMETRIES="TwoU1;TwoU1PG;SU2U1;SU2U1PG;U1DG;NU1;U1" -DCMAKE_BUILD_TYPE=Release -DBUILD_DMRG_EVOLVE=ON -DBUILD_PREBO=ON -DBUILD_VIBRONIC=ON ../dmrg
- make -j2
artifacts:
paths:
- buildTDAllSymmetries/
expire_in: 6h
when: always
testTDAllSymmetries:
stage: testAdvanced
needs: ["build-TD-with-all-symmetries"]
tags:
- default_docker
script:
- cd buildTDAllSymmetries
- make CTEST_OUTPUT_ON_FAILURE=1 test