gliquid 0.2.0__tar.gz → 0.3.0__tar.gz

{gliquid-0.2.0 → gliquid-0.3.0}/.gitattributes

@@ -2,3 +2,6 @@
 # them back byte-for-byte on every platform. Without this, end-of-line normalization
 # rewrites the JSON and txt members on checkout and the manifest no longer verifies.
 src/gliquid/models/** -text
+
+# The pre-commit hook is run by sh; CRLF in it fails at the shebang line.
+.githooks/** text eol=lf

gliquid-0.3.0/.githooks/pre-commit

@@ -0,0 +1,74 @@
+#!/bin/sh
+# ruff format gate for staged Python, over the same three paths the CI lint job checks.
+#
+# Reformats the staged files and re-stages them, so the commit records formatted code. A file
+# with unstaged changes alongside its staged ones is left alone and the commit aborts: `git add`
+# on a partially staged file would sweep the unstaged hunks into the commit too.
+#
+# Activate:   git config core.hooksPath .githooks
+# Skip once:  git commit --no-verify
+# `ruff check` is not run here; the CI lint job runs it and fails on any finding.
+
+ruff_bin=""
+if [ -n "$GLIQUID_RUFF" ] && [ -x "$GLIQUID_RUFF" ]; then
+    ruff_bin="env"
+elif command -v ruff >/dev/null 2>&1; then
+    ruff_bin="path"
+elif command -v python >/dev/null 2>&1 && python -m ruff --version >/dev/null 2>&1; then
+    ruff_bin="module"
+else
+    echo "pre-commit: ruff not found on PATH, in \$GLIQUID_RUFF, or as \`python -m ruff\`." >&2
+    echo "pre-commit: committing unformatted -- install ruff or set GLIQUID_RUFF." >&2
+    exit 0
+fi
+
+run_ruff() {
+    case "$ruff_bin" in
+        env)    "$GLIQUID_RUFF" "$@" ;;
+        module) python -m ruff "$@" ;;
+        *)      ruff "$@" ;;
+    esac
+}
+
+staged=$(git diff --cached --name-only --diff-filter=ACM \
+         | grep -E '^(src/gliquid|tests|tests_internal)/.*\.py$')
+[ -n "$staged" ] || exit 0
+
+unstaged=$(git diff --name-only)
+partial=""
+full=""
+for f in $staged; do
+    if printf '%s\n' "$unstaged" | grep -qxF "$f"; then
+        partial="$partial $f"
+    else
+        full="$full $f"
+    fi
+done
+
+# Partially staged files that ruff would rewrite: report, write nothing, stop the commit.
+blocked=""
+for f in $partial; do
+    run_ruff format --check --quiet "$f" >/dev/null 2>&1 || blocked="$blocked $f"
+done
+if [ -n "$blocked" ]; then
+    echo "pre-commit: these files are staged with unstaged changes alongside and are unformatted:" >&2
+    for f in $blocked; do echo "  $f" >&2; done
+    echo "pre-commit: stage or discard the rest of each file, then run:" >&2
+    echo "  ruff format$blocked" >&2
+    exit 1
+fi
+
+[ -n "$full" ] || exit 0
+# shellcheck disable=SC2086
+set -- $full
+run_ruff format --quiet "$@" || exit 1
+
+# Anything differing from the index now is ruff's work: these files had no unstaged changes.
+changed=$(git diff --name-only -- "$@")
+if [ -n "$changed" ]; then
+    # shellcheck disable=SC2086
+    git add -- $changed
+    echo "pre-commit: ruff formatted and re-staged:"
+    for f in $changed; do echo "  $f"; done
+fi
+exit 0

{gliquid-0.2.0 → gliquid-0.3.0}/.github/workflows/tests.yml

@@ -13,6 +13,10 @@ jobs:
   test-cached:
     name: Cached Tests (Python ${{ matrix.python-version }})
     runs-on: ubuntu-latest
+    env:
+      # The corpus lookup walks up to a directory named gliquid_python, which a checkout
+      # under another repository name does not have.
+      GLIQUID_CACHE_DIR: ${{ github.workspace }}/cache
 
     strategy:
       # One version failing must not hide the state of the other three.
@@ -52,16 +56,17 @@ jobs:
           pip install -e '.[test]'
 
       - name: Run cached tests
-        # CI is where the maintainer tier belongs, so both tiers run. The live Materials
-        # Project fetch is deselected by MARKER, not by path: test_dft_data_loading.py moved
-        # to tests_internal/ and carries `needs_network`, and the API job below runs it.
-        run: pytest tests tests_internal -v --tb=short -m "not needs_network"
+        # Both tiers, in parallel. The live Materials Project fetches are deselected by marker;
+        # the API job below runs the one in tests_internal.
+        run: pytest tests tests_internal -n auto --dist worksteal -m "not needs_network" --tb=short --durations=25
 
   test-api:
     name: API Tests
     runs-on: ubuntu-latest
     needs: test-cached
     if: github.event_name == 'push' && github.ref == 'refs/heads/main'
+    env:
+      GLIQUID_CACHE_DIR: ${{ github.workspace }}/cache  # see the cached job
 
     steps:
       - uses: actions/checkout@v4
@@ -96,13 +101,6 @@ jobs:
     name: Lint and Format
     runs-on: ubuntu-latest
 
-    # NON-BLOCKING ON PURPOSE, for one cycle. `ruff format` landed in spec 04 but
-    # `ruff check` still has a backlog of findings; failing every push on it would
-    # red-wall the repo before anyone could read the list. The job exists so the backlog
-    # is VISIBLE in the checks tab. Flip this to false (or just delete the line) once the
-    # backlog is burned down -- leaving it here permanently makes the job decorative.
-    continue-on-error: true
-
     steps:
       - uses: actions/checkout@v4
         with:

{gliquid-0.2.0 → gliquid-0.3.0}/.gitignore

@@ -5,6 +5,9 @@ notebooks/_executed/
 .tox/
 compat-test-phase1.log
 
+# pytest-testmon's record (the optional inner loop in CONTRIBUTING.md)
+.testmondata*
+
 # Python build / cache / packaging artifacts
 __pycache__/
 *.py[cod]