Separate job script files for gmxapi package versions.

This should help minimize confusion or merge conflicts across GROMACS
release branches.

diff --git a/.gitlab-ci.yml b/.gitlab-ci.yml
index ee10cc660d7d4d405288c21090725d6811f9588a..665733b4dc71cfe8f68f0f3bb75360a1c93ba53b 100644 (file)
--- a/.gitlab-ci.yml
+++ b/.gitlab-ci.yml
@@ -42,7 +42,8 @@ include:
   - local: '/admin/gitlab-ci/global.gitlab-ci.yml'
   - local: '/admin/gitlab-ci/rules.gitlab-ci.yml'
   # gmxapi Python package.
-  - local: '/admin/gitlab-ci/python-gmxapi.gitlab-ci.yml'
+  - local: '/admin/gitlab-ci/python-gmxapi01.gitlab-ci.yml'
+  - local: '/admin/gitlab-ci/python-gmxapi02.gitlab-ci.yml'
   # Further API validation and usability of sample gmxapi extension package.
   - local: '/admin/gitlab-ci/sample_restraint.gitlab-ci.yml'
   # API regression testing using sample gmxapi extension package.

diff --git a/admin/gitlab-ci/python-gmxapi.gitlab-ci.yml b/admin/gitlab-ci/python-gmxapi01.gitlab-ci.yml
similarity index 59%
rename from admin/gitlab-ci/python-gmxapi.gitlab-ci.yml
rename to admin/gitlab-ci/python-gmxapi01.gitlab-ci.yml
index 5b0fb42219e046e6b1ee389bf1071fa1985bdc78..1038badd0b368183480475025192b17897310334 100644 (file)
--- a/admin/gitlab-ci/python-gmxapi.gitlab-ci.yml
+++ b/admin/gitlab-ci/python-gmxapi01.gitlab-ci.yml
@@ -73,61 +73,3 @@ gmxapi-0.1:clang-8:py-3.8.2:
   variables:
     VENVPATH: "/root/venv/py3.8"
     PY_VER: "3.8.2"
-
-.gmxapi-0.2:gcc-7:gmx2021:
-  extends:
-    - .variables:default
-    - .use-clang:base
-  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7
-  stage: test
-  variables:
-    KUBERNETES_CPU_LIMIT: 2
-    KUBERNETES_CPU_REQUEST: 2
-    KUBERNETES_MEMORY_LIMIT: 2Gi
-    KUBERNETES_MEMORY_REQUEST: 2Gi
-    PY_UNIT_TEST_XML: $CI_PROJECT_DIR/py-JUnitTestResults.xml
-    PY_MPI_UNIT_TEST_XML: $CI_PROJECT_DIR/py-mpi-JUnitTestResults.xml
-    PY_ACCEPTANCE_TEST_XML: $CI_PROJECT_DIR/gmxapi-acceptance-JUnitTestResults.xml
-    PY_MPI_ACCEPTANCE_TEST_XML: $CI_PROJECT_DIR/gmxapi-acceptance-mpi-JUnitTestResults.xml
-  script:
-    - source $INSTALL_DIR/bin/GMXRC
-    - source $VENVPATH/bin/activate && INSTALL_DIR=$PWD/$INSTALL_DIR OMP_NUM_THREADS=1 bash admin/ci-scripts/build-and-test-py-gmxapi-0.2.sh
-  artifacts:
-    reports:
-      junit:
-        - $PY_UNIT_TEST_XML
-        - $PY_MPI_UNIT_TEST_XML
-        - $PY_ACCEPTANCE_TEST_XML
-        - $PY_MPI_ACCEPTANCE_TEST_XML
-    when: always
-    expire_in: 1 week
-  tags:
-    - k8s-scilifelab
-  # The dependency means we need to use the same tag restriction as upstream.
-  needs:
-    - job: gromacs:gcc-7:build
-      artifacts: true
-
-gmxapi-0.2:gcc-7:gmx2021:py-3.6.10:
-  extends:
-    - .gmxapi-0.2:gcc-7:gmx2021
-    - .rules:merge-requests:master
-  variables:
-    VENVPATH: "/root/venv/py3.6"
-    PY_VER: "3.6.10"
-
-gmxapi-0.2:gcc-7:gmx2021:py-3.7.7:
-  extends:
-    - .gmxapi-0.2:gcc-7:gmx2021
-    - .rules:merge-requests:master
-  variables:
-    VENVPATH: "/root/venv/py3.7"
-    PY_VER: "3.7.7"
-
-gmxapi-0.2:gcc-7:gmx2021:py-3.8.2:
-  extends:
-    - .gmxapi-0.2:gcc-7:gmx2021
-    - .rules:merge-requests:master
-  variables:
-    VENVPATH: "/root/venv/py3.8"
-    PY_VER: "3.8.2"

diff --git a/admin/gitlab-ci/python-gmxapi02.gitlab-ci.yml b/admin/gitlab-ci/python-gmxapi02.gitlab-ci.yml
new file mode 100644 (file)
index 0000000..c4c66b4
--- /dev/null
+++ b/admin/gitlab-ci/python-gmxapi02.gitlab-ci.yml
@@ -0,0 +1,61 @@
+#
+# Jobs to test gmxapi client (Python) packages
+#
+
+.gmxapi-0.2:gcc-7:gmx2021:
+  extends:
+    - .variables:default
+    - .use-clang:base
+  image: ${CI_REGISTRY}/gromacs/gromacs/ci-ubuntu-18.04-gcc-7
+  stage: test
+  variables:
+    KUBERNETES_CPU_LIMIT: 2
+    KUBERNETES_CPU_REQUEST: 2
+    KUBERNETES_MEMORY_LIMIT: 2Gi
+    KUBERNETES_MEMORY_REQUEST: 2Gi
+    PY_UNIT_TEST_XML: $CI_PROJECT_DIR/py-JUnitTestResults.xml
+    PY_MPI_UNIT_TEST_XML: $CI_PROJECT_DIR/py-mpi-JUnitTestResults.xml
+    PY_ACCEPTANCE_TEST_XML: $CI_PROJECT_DIR/gmxapi-acceptance-JUnitTestResults.xml
+    PY_MPI_ACCEPTANCE_TEST_XML: $CI_PROJECT_DIR/gmxapi-acceptance-mpi-JUnitTestResults.xml
+  script:
+    - source $INSTALL_DIR/bin/GMXRC
+    - source $VENVPATH/bin/activate && INSTALL_DIR=$PWD/$INSTALL_DIR OMP_NUM_THREADS=1 bash admin/ci-scripts/build-and-test-py-gmxapi-0.2.sh
+  artifacts:
+    reports:
+      junit:
+        - $PY_UNIT_TEST_XML
+        - $PY_MPI_UNIT_TEST_XML
+        - $PY_ACCEPTANCE_TEST_XML
+        - $PY_MPI_ACCEPTANCE_TEST_XML
+    when: always
+    expire_in: 1 week
+  tags:
+    - k8s-scilifelab
+  # The dependency means we need to use the same tag restriction as upstream.
+  needs:
+    - job: gromacs:gcc-7:build
+      artifacts: true
+
+gmxapi-0.2:gcc-7:gmx2021:py-3.6.10:
+  extends:
+    - .gmxapi-0.2:gcc-7:gmx2021
+    - .rules:merge-requests:master
+  variables:
+    VENVPATH: "/root/venv/py3.6"
+    PY_VER: "3.6.10"
+
+gmxapi-0.2:gcc-7:gmx2021:py-3.7.7:
+  extends:
+    - .gmxapi-0.2:gcc-7:gmx2021
+    - .rules:merge-requests:master
+  variables:
+    VENVPATH: "/root/venv/py3.7"
+    PY_VER: "3.7.7"
+
+gmxapi-0.2:gcc-7:gmx2021:py-3.8.2:
+  extends:
+    - .gmxapi-0.2:gcc-7:gmx2021
+    - .rules:merge-requests:master
+  variables:
+    VENVPATH: "/root/venv/py3.8"
+    PY_VER: "3.8.2"