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6 changes: 5 additions & 1 deletion .github/workflows/publish_pyiron_workflow_docker.yml
Original file line number Diff line number Diff line change
Expand Up @@ -9,10 +9,14 @@ jobs:
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v4
with:
repository: pyiron-node-store/dpg2025_node_store
path: pyiron_workflow/dpg2025_node_store
- uses: actions/checkout@v4
with:
repository: pyiron-workshop/DPG-tutorial-2025
path: pyiron_workflow/DPG-tutorial-2025
- run: mv pyiron_workflow/dpg2025_node_store/* pyiron_workflow/; rm -rf pyiron_workflow/dpg2025_node_store
- uses: actions/checkout@v4
with:
repository: samwaseda/tensile_test
Expand All @@ -23,7 +27,7 @@ jobs:
- name: Login to DockerHub Registry
run: echo ${{ secrets.DOCKERHUB_PASSWORD }} | docker login -u ${{ secrets.DOCKERHUB_USERNAME }} --password-stdin
- name: Build pyiron/pyiron_workflow
timeout-minutes: 20
timeout-minutes: 40
run: |
docker build -t pyiron/pyiron_workflow:latest pyiron_workflow/
docker tag pyiron/pyiron_workflow:latest pyiron/pyiron_workflow:"$(date +%F)"
Expand Down
2 changes: 1 addition & 1 deletion .github/workflows/push.yml
Original file line number Diff line number Diff line change
Expand Up @@ -79,7 +79,7 @@ jobs:
- name: Login to DockerHub Registry
run: echo ${{ secrets.DOCKERHUB_PASSWORD }} | docker login -u ${{ secrets.DOCKERHUB_USERNAME }} --password-stdin
- name: Build pyiron/pyiron_workflow
timeout-minutes: 10
timeout-minutes: 40
run: |
docker build -t pyiron/pyiron_workflow:latest pyiron_workflow/
docker tag pyiron/pyiron_workflow:latest pyiron/pyiron_workflow:"$(date +%F)"
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7 changes: 6 additions & 1 deletion .github/workflows/testing.yml
Original file line number Diff line number Diff line change
Expand Up @@ -108,16 +108,21 @@ jobs:
id: date
run: echo "date=$(date +%F)" >> $GITHUB_OUTPUT
- uses: actions/checkout@v4
- uses: actions/checkout@v4
with:
repository: pyiron-node-store/dpg2025_node_store
path: pyiron_workflow/dpg2025_node_store
- uses: actions/checkout@v4
with:
repository: pyiron-workshop/DPG-tutorial-2025
path: pyiron_workflow/DPG-tutorial-2025
- run: mv pyiron_workflow/dpg2025_node_store/* pyiron_workflow/; rm -rf pyiron_workflow/dpg2025_node_store
- uses: actions/checkout@v4
with:
repository: samwaseda/tensile_test
path: pyiron_workflow/tensile_test
- name: Build pyiron/pyiron_workflow
timeout-minutes: 15
timeout-minutes: 30
run: |
docker build -t pyiron/pyiron_workflow:latest pyiron_workflow/
docker tag pyiron/pyiron_workflow:latest pyiron/pyiron_workflow:"$(date +%F)"
Expand Down
20 changes: 14 additions & 6 deletions pyiron_workflow/environment.yml
Original file line number Diff line number Diff line change
Expand Up @@ -2,19 +2,27 @@ channels:
- conda-forge
- nodefaults
dependencies:
- pyiron-data =0.0.30
- pip
- nglview =3.1.4
- pyironflow =0.0.16
- sqlite >=3.45
- sqlalchemy =2.0.43
- numpy >1.20,<2
- pyiron_atomistics =0.7
- pyiron-data =0.0.30
- pyiron_workflow =0.12.0
- calphy
- ase =3.25.0
- damask =3.0.2
- requests =2.32.4
- matplotlib
- pyiron_atomistics =0.7
- pyiron_workflow =0.12.0
- pyironflow =0.0.9
- pip
- matgl =1.1.3
- structuretoolkit =0.0.31
- pyxtal >=0.6.0,<1.1
- gpaw >=24, <25
- gpaw-data =0.9.20000
- pip:
- git+https://github.com/pmrv/python-ace.git
- tensorpotential ==0.4.5
- tensorpotential ==0.5.1
# - landaupkg ==1.0.1
- git+https://github.com/eisenforschung/landau.git
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