diff --git a/.github/workflows/publish_pyiron_workflow_docker.yml b/.github/workflows/publish_pyiron_workflow_docker.yml index c538e97c..533281cb 100644 --- a/.github/workflows/publish_pyiron_workflow_docker.yml +++ b/.github/workflows/publish_pyiron_workflow_docker.yml @@ -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 @@ -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)" diff --git a/.github/workflows/push.yml b/.github/workflows/push.yml index 3189972c..b46dff8c 100644 --- a/.github/workflows/push.yml +++ b/.github/workflows/push.yml @@ -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)" diff --git a/.github/workflows/testing.yml b/.github/workflows/testing.yml index 1fd4bbc2..8cd9a2a5 100644 --- a/.github/workflows/testing.yml +++ b/.github/workflows/testing.yml @@ -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)" diff --git a/pyiron_workflow/environment.yml b/pyiron_workflow/environment.yml index 5950a882..3101bbfc 100644 --- a/pyiron_workflow/environment.yml +++ b/pyiron_workflow/environment.yml @@ -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