Update workflow for dependabot PRs

.ci_support/pypi_vs_conda_names.json

@@ -0,0 +1,10 @@
+{
+  "tables": "pytables",
+  "pyiron-base": "pyiron_base",
+  "pyiron-atomistics": "pyiron_atomistics",
+  "pyiron-contrib": "pyiron_contrib",
+  "pyiron-experimental": "pyiron_experimental",
+  "pyiron-continuum": "pyiron_continuum",
+  "pyiron-gpl": "pyiron_gpl",
+  "pyiron-gui": "pyiron_gui"
+}

.ci_support/update_environment.py

@@ -0,0 +1,72 @@
+# coding: utf-8
+# Copyright (c) Max-Planck-Institut für Eisenforschung GmbH - Computational Materials Design (CM) Department
+# Distributed under the terms of "New BSD License", see the LICENSE file.
+
+import json
+import re
+import sys
+
+import yaml
+
+environment_file = '.ci_support/environment.yml'
+name_mapping_file = '.ci_support/pypi_vs_conda_names.json'
+
+
+class EnvironmentUpdater:
+    def __init__(self, package_name, from_version, to_version):
+        """
+        Updates the version of a package in the conda environment file.
+
+        Parameters:
+            package_name: Name of the package to update as available on PyPI
+            from_version: Version the package is before the update
+            to_version: Version to which the package should be updated
+        """
+        self.from_version = from_version
+        self.to_version = to_version
+        with open(name_mapping_file, 'r') as f:
+            self._name_conversion_dict = json.load(f)
+
+        with open(environment_file, 'r') as f:
+            self.environment = yaml.safe_load(f)
+
+        self.package_name = self._convert_package_name(package_name)
+
+    def _convert_package_name(self, name):
+        if name in self._name_conversion_dict.keys():
+            result = self._name_conversion_dict[name]
+        else:
+            result = name
+        return result
+
+    def _update_dependencies(self):
+        updated_dependencies = []
+
+        for dep in self.environment['dependencies']:
+            updated_dependencies.append(re.sub(
+                r'(' + self.package_name + '.*)' + self.from_version,
+                r'\g<1>' + self.to_version,
+                dep
+            ))
+
+        self.environment['dependencies'] = updated_dependencies
+
+    def _write(self):
+        with open(environment_file, 'w') as f:
+            yaml.safe_dump(self.environment, f)
+
+    def update_dependencies(self):
+        """Update the version of the requested dependency in the environment file"""
+        self._update_dependencies()
+        self._write()
+
+
+if len(sys.argv) != 7 or not (sys.argv[1] == 'Bump' and sys.argv[3] == 'from' and sys.argv[5] == 'to'):
+    raise ValueError(f"Title of a dependabot PR 'Bump <package> from <version> to <version>' expected, "
+                     f"but got {' '.join(sys.argv[1:])}")
+package_to_update = sys.argv[2]
+from_version = sys.argv[4]
+to_version = sys.argv[6]
+
+updater = EnvironmentUpdater(package_to_update, from_version, to_version)
+updater.update_dependencies()

.github/workflows/UpdateDependabotPR.yml

@@ -1,33 +1,30 @@
-name: UpdateDependabotPR
-
-on:
-  pull_request_target:
-    branches: [ master ]
-
-jobs:
-  build:
-    runs-on: ubuntu-latest
-    if: (github.actor == 'dependabot[bot]')
-    steps:
-      - uses: actions/checkout@v2
-        with:
-          ref: ${{ github.event.pull_request.head.ref }} # Check out the head of the actual branch, not the PR
-          fetch-depth: 0 # otherwise, you will fail to push refs to dest repo
-          token: ${{ secrets.DEPENDABOT_WORKFLOW_TOKEN }}
-      - name: UpdateEnvironmentFile
-        shell: bash -l {0}
-        run: |
-          package=$(echo "${{ github.event.pull_request.title }}" | awk '{print $2}')
-          from=$(echo "${{ github.event.pull_request.title }}" | awk '{print $4}')
-          to=$(echo "${{ github.event.pull_request.title }}" | awk '{print $6}')
-          sed -i "/${package}/s/${from}/${to}/g" .ci_support/environment.yml
-      - name: UpdateDependabotPR commit
-        run: |
-          git config --local user.email "41898282+github-actions[bot]@users.noreply.github.com"
-          git config --local user.name "github-actions[bot]"
-          git commit -m "[dependabot skip] Update environment" -a
-      - name: UpdateDependabotPR push
-        uses: ad-m/github-push-action@master
-        with:
-          github_token: ${{ secrets.DEPENDABOT_WORKFLOW_TOKEN }}
-          branch: ${{ github.event.pull_request.head.ref }}
+name: UpdateDependabotPR
+
+on:
+  pull_request_target:
+    branches: [ master ]
+
+jobs:
+  build:
+    runs-on: ubuntu-latest
+    if: (github.actor == 'dependabot[bot]')
+    steps:
+      - uses: actions/checkout@v2
+        with:
+          ref: ${{ github.event.pull_request.head.ref }} # Check out the head of the actual branch, not the PR
+          fetch-depth: 0 # otherwise, you will fail to push refs to dest repo
+          token: ${{ secrets.DEPENDABOT_WORKFLOW_TOKEN }}
+      - name: UpdateEnvironmentFile
+        shell: bash -l {0}
+        run: |
+          python .ci_support/update_environment.py ${{ github.event.pull_request.title }}
+      - name: UpdateDependabotPR commit
+        run: |
+          git config --local user.email "41898282+github-actions[bot]@users.noreply.github.com"
+          git config --local user.name "github-actions[bot]"
+          git commit -m "[dependabot skip] Update environment" -a
+      - name: UpdateDependabotPR push
+        uses: ad-m/github-push-action@master
+        with:
+          github_token: ${{ secrets.DEPENDABOT_WORKFLOW_TOKEN }}
+          branch: ${{ github.event.pull_request.head.ref }}