From e3e86011fe175e263ca64f5cd3ed0ffea0c1d48b Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Jan=20Jan=C3=9Fen?= Date: Fri, 25 Apr 2025 12:34:28 +0200 Subject: [PATCH 1/5] debug ci --- .github/workflows/pipeline.yml | 12 +++++++++--- 1 file changed, 9 insertions(+), 3 deletions(-) diff --git a/.github/workflows/pipeline.yml b/.github/workflows/pipeline.yml index 7dab2fc..e3614b8 100644 --- a/.github/workflows/pipeline.yml +++ b/.github/workflows/pipeline.yml @@ -25,7 +25,9 @@ jobs: verdi presto --profile-name pwd - name: Tests shell: bash -l {0} - run: python .ci_support/aiida.py + run: | + cp .ci_support/aiida.py . + python aiida.py jobflow: runs-on: ubuntu-latest @@ -44,7 +46,9 @@ jobs: run: pip install python-workflow-definition - name: Tests shell: bash -l {0} - run: python .ci_support/jobflow.py + run: | + cp .ci_support/jobflow.py . + python jobflow.py pyiron: runs-on: ubuntu-latest @@ -63,4 +67,6 @@ jobs: run: pip install python-workflow-definition - name: Tests shell: bash -l {0} - run: python .ci_support/pyiron.py + run: | + cp .ci_support/pyiron.py . + python pyiron.py From f3a68b285e5f6938761f3fe2d7f5f79ac9db6556 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Jan=20Jan=C3=9Fen?= Date: Fri, 25 Apr 2025 12:37:31 +0200 Subject: [PATCH 2/5] update aiida --- .ci_support/aiida.py | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/.ci_support/aiida.py b/.ci_support/aiida.py index 2c411ed..0d1aba8 100644 --- a/.ci_support/aiida.py +++ b/.ci_support/aiida.py @@ -1,8 +1,9 @@ from python_workflow_definition.aiida import load_workflow_json +load_profile() + from aiida import load_profile if __name__ == "__main__": - load_profile() workgraph = load_workflow_json(file_name='workflow.json') workgraph.run() From 80aedf4f0d74e44a5aa97407043d194c00bf4d9d Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Jan=20Jan=C3=9Fen?= Date: Fri, 25 Apr 2025 12:39:34 +0200 Subject: [PATCH 3/5] reorder imports --- .ci_support/aiida.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/.ci_support/aiida.py b/.ci_support/aiida.py index 0d1aba8..67d9b6e 100644 --- a/.ci_support/aiida.py +++ b/.ci_support/aiida.py @@ -1,7 +1,7 @@ -from python_workflow_definition.aiida import load_workflow_json +from aiida import load_profile load_profile() -from aiida import load_profile +from python_workflow_definition.aiida import load_workflow_json if __name__ == "__main__": From f4e04be7a396c4de05356d464124dd45b45159de Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Jan=20Jan=C3=9Fen?= Date: Fri, 25 Apr 2025 12:41:27 +0200 Subject: [PATCH 4/5] fix import --- .ci_support/{aiida.py => test_aiida.py} | 0 .ci_support/{jobflow.py => test_jobflow.py} | 0 .ci_support/{pyiron.py => test_pyiron.py} | 0 .github/workflows/pipeline.yml | 12 ++++++------ 4 files changed, 6 insertions(+), 6 deletions(-) rename .ci_support/{aiida.py => test_aiida.py} (100%) rename .ci_support/{jobflow.py => test_jobflow.py} (100%) rename .ci_support/{pyiron.py => test_pyiron.py} (100%) diff --git a/.ci_support/aiida.py b/.ci_support/test_aiida.py similarity index 100% rename from .ci_support/aiida.py rename to .ci_support/test_aiida.py diff --git a/.ci_support/jobflow.py b/.ci_support/test_jobflow.py similarity index 100% rename from .ci_support/jobflow.py rename to .ci_support/test_jobflow.py diff --git a/.ci_support/pyiron.py b/.ci_support/test_pyiron.py similarity index 100% rename from .ci_support/pyiron.py rename to .ci_support/test_pyiron.py diff --git a/.github/workflows/pipeline.yml b/.github/workflows/pipeline.yml index e3614b8..805c938 100644 --- a/.github/workflows/pipeline.yml +++ b/.github/workflows/pipeline.yml @@ -26,8 +26,8 @@ jobs: - name: Tests shell: bash -l {0} run: | - cp .ci_support/aiida.py . - python aiida.py + cp .ci_support/test_aiida.py . + python test_aiida.py jobflow: runs-on: ubuntu-latest @@ -47,8 +47,8 @@ jobs: - name: Tests shell: bash -l {0} run: | - cp .ci_support/jobflow.py . - python jobflow.py + cp .ci_support/test_jobflow.py . + python test_jobflow.py pyiron: runs-on: ubuntu-latest @@ -68,5 +68,5 @@ jobs: - name: Tests shell: bash -l {0} run: | - cp .ci_support/pyiron.py . - python pyiron.py + cp .ci_support/test_pyiron.py . + python test_pyiron.py From 84efe36badc65a82ab4ec28aedeaf5303703bb56 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Jan=20Jan=C3=9Fen?= Date: Fri, 25 Apr 2025 12:45:14 +0200 Subject: [PATCH 5/5] rename --- .../{test_aiida.py => test_with_aiida.py} | 0 .../{test_jobflow.py => test_with_jobflow.py} | 0 .../{test_pyiron.py => test_with_pyiron.py} | 0 .github/workflows/pipeline.yml | 29 +++++++------------ 4 files changed, 11 insertions(+), 18 deletions(-) rename .ci_support/{test_aiida.py => test_with_aiida.py} (100%) rename .ci_support/{test_jobflow.py => test_with_jobflow.py} (100%) rename .ci_support/{test_pyiron.py => test_with_pyiron.py} (100%) diff --git a/.ci_support/test_aiida.py b/.ci_support/test_with_aiida.py similarity index 100% rename from .ci_support/test_aiida.py rename to .ci_support/test_with_aiida.py diff --git a/.ci_support/test_jobflow.py b/.ci_support/test_with_jobflow.py similarity index 100% rename from .ci_support/test_jobflow.py rename to .ci_support/test_with_jobflow.py diff --git a/.ci_support/test_pyiron.py b/.ci_support/test_with_pyiron.py similarity index 100% rename from .ci_support/test_pyiron.py rename to .ci_support/test_with_pyiron.py diff --git a/.github/workflows/pipeline.yml b/.github/workflows/pipeline.yml index 805c938..1dad4f1 100644 --- a/.github/workflows/pipeline.yml +++ b/.github/workflows/pipeline.yml @@ -18,16 +18,13 @@ jobs: miniforge-version: latest condarc-file: .condarc environment-file: environment.yml - - name: Installation and setup + - name: Test shell: bash -l {0} run: | pip install python-workflow-definition verdi presto --profile-name pwd - - name: Tests - shell: bash -l {0} - run: | - cp .ci_support/test_aiida.py . - python test_aiida.py + cp .ci_support/test_with_aiida.py . + python test_with_aiida.py jobflow: runs-on: ubuntu-latest @@ -41,14 +38,12 @@ jobs: miniforge-version: latest condarc-file: .condarc environment-file: environment.yml - - name: Installation and setup - shell: bash -l {0} - run: pip install python-workflow-definition - - name: Tests + - name: Test shell: bash -l {0} run: | - cp .ci_support/test_jobflow.py . - python test_jobflow.py + pip install python-workflow-definition + cp .ci_support/test_with_jobflow.py . + python test_with_jobflow.py pyiron: runs-on: ubuntu-latest @@ -62,11 +57,9 @@ jobs: miniforge-version: latest condarc-file: .condarc environment-file: environment.yml - - name: Installation and setup - shell: bash -l {0} - run: pip install python-workflow-definition - - name: Tests + - name: Test shell: bash -l {0} run: | - cp .ci_support/test_pyiron.py . - python test_pyiron.py + pip install python-workflow-definition + cp .ci_support/test_with_pyiron.py . + python test_with_pyiron.py