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Update Dockerfile

Update Dockerfile #229

Workflow file for this run

name: Docker Testing
on:
pull_request:
branches: [ main ]
jobs:
build:
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v2
- run: docker build -t pyiron/base:latest base/
- run: docker tag pyiron/base:latest pyiron/base:"$(date +%F)"
- run: docker build -t pyiron/md:latest md/
- run: docker tag pyiron/md:latest pyiron/md:"$(date +%F)"
- run: docker build -t pyiron/continuum:latest continuum/
- run: docker tag pyiron/continuum:latest pyiron/continuum:"$(date +%F)"
- run: docker build -t pyiron/pyiron:latest pyiron/
- run: docker tag pyiron/pyiron:latest pyiron/pyiron:"$(date +%F)"
- run: docker build -t pyiron/potentialworkshop:latest potentialworkshop/
- run: docker tag pyiron/potentialworkshop:latest pyiron/potentialworkshop:"$(date +%F)"
- run: docker build -t pyiron/experimental:latest experimental/
- run: docker tag pyiron/experimental:latest pyiron/experimental:"$(date +%F)"
- run: docker images
- run: docker run --rm pyiron/continuum /bin/bash -c 'source /opt/conda/bin/activate; i=0; for f in $(ls ~/*.ipynb); do jupyter nbconvert --ExecutePreprocessor.timeout=9999999 --to notebook --execute $f || i=$((i+1)); done; if [ $i -gt 0 ]; then exit 1; fi;'
- run: docker run --rm pyiron/base /bin/bash -c 'source /opt/conda/bin/activate; i=0; for f in $(ls ~/*.ipynb); do jupyter nbconvert --ExecutePreprocessor.timeout=9999999 --to notebook --execute $f || i=$((i+1)); done; if [ $i -gt 0 ]; then exit 1; fi;'
- run: docker run --rm pyiron/pyiron /bin/bash -c 'source /opt/conda/bin/activate; i=0; for f in $(ls ~/*.ipynb); do jupyter nbconvert --ExecutePreprocessor.timeout=9999999 --to notebook --execute $f || i=$((i+1)); done; if [ $i -gt 0 ]; then exit 1; fi;'
- run: docker run --rm pyiron/experimental /bin/bash -c 'source /opt/conda/bin/activate; i=0; for f in $(ls ~/*.ipynb); do jupyter nbconvert --ExecutePreprocessor.timeout=9999999 --to notebook --execute $f || i=$((i+1)); done; if [ $i -gt 0 ]; then exit 1; fi;'