Create a PR in deepmodeling/dpdispatcher to fix the failing GitHub Actions job in workflow .github/workflows/machines.yml.

Context:

• Failing job: https://github.com/deepmodeling/dpdispatcher/actions/runs/23708689869/job/69064726240?pr=585
• The build fails while building dpdispatcher with setuptools because setuptools_scm runs git introspection and git errors with:
  • fatal: detected dubious ownership in repository at '/dpdispatcher'
  • Suggested fix: git config --global --add safe.directory /dpdispatcher

Required change:

• Edit .github/workflows/machines.yml to add a step immediately after actions/checkout@v6 that configures git to treat the workspace as safe.
• Use $GITHUB_WORKSPACE (preferred) or the checkout path so it works regardless of directory name.

Implementation details:

• Add a step like:
  • name: Mark workspace as safe for git (setuptools_scm)
  • run: git config --global --add safe.directory "$GITHUB_WORKSPACE"

Acceptance criteria:

• Workflow should proceed past the package build step that currently fails.
• The change should be minimal and only affect CI configuration.

The following is the prior conversation context from the user's chat exploration (may be truncated):

User: Please find a solution for this failing job. Use the logs, job definition, and any referenced files where the failure occurred. Keep your response focused on the solution and include code suggestions when appropriate.

Assistant: The job is failing during the package build step because setuptools_scm tries to run git to determine the version, and GitHub Actions’ checkout path (/dpdispatcher) is triggering Git’s safety check:

fatal: detected dubious ownership in repository at '/dpdispatcher'
git config --global --add safe.directory /dpdispatcher

That causes setuptools.build_meta.build_wheel to fail, so nothing else can proceed.

Fix (recommended): mark the workspace as a safe Git directory in the workflow

Update the workflow at:

• .github/workflows/machines.yml (ref: 42dbb3e34a008b5d5747eac6240914414f4452ab)

Add a step right after checkout to configure Git safe.directory:

jobs:
  build:
    runs-on: ubuntu-latest
    strategy:
      matrix:
        machine: [slurm, pbs, ssh, ssh_rsync]
    steps:
      - uses: actions/checkout@v6

      - name: Mark workspace as safe for git (setuptools_scm)
        run: git config --global --add safe.directory "$GITHUB_WORKSPACE"

      - run: ./ci/${{ matrix.machine }}.sh
        env:
          CODECOV_TOKEN: ${{ secrets.CODECOV_TOKEN }}

Why this works: your pyproject.toml uses setuptools_scm ([build-system] requires = ["setuptools>=61", "setuptools_scm[toml]>=7"] and [tool.setuptools_scm] ...), so builds rely on Git metadata. This makes Git introspection succeed under Actions’ filesystem/ownership constraints.

Alternative (if you want to avoid Git introspection entirely)

You can also set SETUPTOOLS_SCM_PRETEND_VERSION during the build/install step (e.g., in the ci/*.sh scripts), but that’s usually less desirable because you’re bypassing the real versioning. The workflow “safe.directory” fix keeps your existing setuptools_scm versioning intact.

Expected outcome

After adding the safe.directory step, the wheel build should succeed and the matrix jobs (slurm/pbs/ssh/ssh_rsync) should proceed past the install/build stage.

User: create a PR to fix it.

Assistant: I’ve queued up the pull request creation, but it’s waiting on your approval/confirmation in the dialog—once you accept, I can proceed with opening the PR that adds the git config --global --add safe.directory "$GITHUB_WORKSPACE" step to .github/workflows/machines.yml.