Merge pull request #475 from dgasmith/lint

Lint Black, iSort, and Autoflake

Makefile

@@ -0,0 +1,51 @@
+.DEFAULT_GOAL := all
+isort = isort -rc qcfractal
+black = black qcfractal
+autoflake = autoflake -ir --remove-all-unused-imports --ignore-init-module-imports --remove-unused-variables --exclude="*/tests/*,*/versions/*,*/models/*" qcfractal
+
+.PHONY: install
+install:
+	pip install -e .
+
+.PHONY: format
+format:
+	$(autoflake)
+	$(isort)
+	$(black)
+
+.PHONY: lint
+lint:
+	$(isort) --check-only
+	$(black) --check
+
+.PHONY: check-dist
+check-dist:
+	python setup.py check -ms
+	python setup.py sdist
+	twine check dist/*
+
+.PHONY: mypy
+mypy:
+	mypy qcfractal
+
+.PHONY: test
+test:
+	pytest -v --cov=qcfractal/
+
+.PHONY: clean
+clean:
+	rm -rf `find . -name __pycache__`
+	rm -f `find . -type f -name '*.py[co]' `
+	rm -f `find . -type f -name '*~' `
+	rm -f `find . -type f -name '.*~' `
+	rm -rf .cache
+	rm -rf .pytest_cache
+	rm -rf .mypy_cache
+	rm -rf htmlcov
+	rm -rf *.egg-info
+	rm -f .coverage
+	rm -f .coverage.*
+	rm -rf build
+	rm -rf dist
+	rm -f qcfractal/*.c qcfractal/*.so
+	python setup.py clean

pyproject.toml

@@ -0,0 +1,3 @@
+[tool.black]
+line-length = 120
+target-version = ['py37']

qcfractal/__init__.py

@@ -3,16 +3,19 @@
 """
 
 from . import interface
+
 # Handle versioneer
 from .extras import get_information
+
 # Handle top level object imports
 from .postgres_harness import PostgresHarness, TemporaryPostgres
 from .queue import QueueManager
 from .server import FractalServer
 from .snowflake import FractalSnowflake, FractalSnowflakeHandler
+
 # Import modules
 from .storage_sockets import storage_socket_factory
 
-__version__ = get_information('version')
-__git_revision__ = get_information('git_revision')
+__version__ = get_information("version")
+__git_revision__ = get_information("git_revision")
 del get_information

qcfractal/_version.py

@@ -75,11 +75,9 @@ def run_command(commands, args, cwd=None, verbose=False, hide_stderr=False, env=
         try:
             dispcmd = str([c] + args)
             # remember shell=False, so use git.cmd on windows, not just git
-            p = subprocess.Popen([c] + args,
-                                 cwd=cwd,
-                                 env=env,
-                                 stdout=subprocess.PIPE,
-                                 stderr=(subprocess.PIPE if hide_stderr else None))
+            p = subprocess.Popen(
+                [c] + args, cwd=cwd, env=env, stdout=subprocess.PIPE, stderr=(subprocess.PIPE if hide_stderr else None)
+            )
             break
         except EnvironmentError:
             e = sys.exc_info()[1]
@@ -91,7 +89,7 @@ def run_command(commands, args, cwd=None, verbose=False, hide_stderr=False, env=
             return None, None
     else:
         if verbose:
-            print("unable to find command, tried %s" % (commands, ))
+            print("unable to find command, tried %s" % (commands,))
         return None, None
     stdout = p.communicate()[0].strip()
     if sys.version_info[0] >= 3:
@@ -117,11 +115,11 @@ def versions_from_parentdir(parentdir_prefix, root, verbose):
         dirname = os.path.basename(root)
         if dirname.startswith(parentdir_prefix):
             return {
-                "version": dirname[len(parentdir_prefix):],
+                "version": dirname[len(parentdir_prefix) :],
                 "full-revisionid": None,
                 "dirty": False,
                 "error": None,
-                "date": None
+                "date": None,
             }
         else:
             rootdirs.append(root)
@@ -184,7 +182,7 @@ def git_versions_from_keywords(keywords, tag_prefix, verbose):
     # starting in git-1.8.3, tags are listed as "tag: foo-1.0" instead of
     # just "foo-1.0". If we see a "tag: " prefix, prefer those.
     TAG = "tag: "
-    tags = set([r[len(TAG):] for r in refs if r.startswith(TAG)])
+    tags = set([r[len(TAG) :] for r in refs if r.startswith(TAG)])
     if not tags:
         # Either we're using git < 1.8.3, or there really are no tags. We use
         # a heuristic: assume all version tags have a digit. The old git %d
@@ -193,23 +191,23 @@ def git_versions_from_keywords(keywords, tag_prefix, verbose):
         # between branches and tags. By ignoring refnames without digits, we
         # filter out many common branch names like "release" and
         # "stabilization", as well as "HEAD" and "master".
-        tags = set([r for r in refs if re.search(r'\d', r)])
+        tags = set([r for r in refs if re.search(r"\d", r)])
         if verbose:
             print("discarding '%s', no digits" % ",".join(refs - tags))
     if verbose:
         print("likely tags: %s" % ",".join(sorted(tags)))
     for ref in sorted(tags):
         # sorting will prefer e.g. "2.0" over "2.0rc1"
         if ref.startswith(tag_prefix):
-            r = ref[len(tag_prefix):]
+            r = ref[len(tag_prefix) :]
             if verbose:
                 print("picking %s" % r)
             return {
                 "version": r,
                 "full-revisionid": keywords["full"].strip(),
                 "dirty": False,
                 "error": None,
-                "date": date
+                "date": date,
             }
     # no suitable tags, so version is "0+unknown", but full hex is still there
     if verbose:
@@ -219,7 +217,7 @@ def git_versions_from_keywords(keywords, tag_prefix, verbose):
         "full-revisionid": keywords["full"].strip(),
         "dirty": False,
         "error": "no suitable tags",
-        "date": None
+        "date": None,
     }
 
 
@@ -244,8 +242,8 @@ def git_pieces_from_vcs(tag_prefix, root, verbose, run_command=run_command):
     # if there is a tag matching tag_prefix, this yields TAG-NUM-gHEX[-dirty]
     # if there isn't one, this yields HEX[-dirty] (no NUM)
     describe_out, rc = run_command(
-        GITS, ["describe", "--tags", "--dirty", "--always", "--long", "--match",
-               "%s*" % tag_prefix], cwd=root)
+        GITS, ["describe", "--tags", "--dirty", "--always", "--long", "--match", "%s*" % tag_prefix], cwd=root
+    )
     # --long was added in git-1.5.5
     if describe_out is None:
         raise NotThisMethod("'git describe' failed")
@@ -268,16 +266,16 @@ def git_pieces_from_vcs(tag_prefix, root, verbose, run_command=run_command):
     dirty = git_describe.endswith("-dirty")
     pieces["dirty"] = dirty
     if dirty:
-        git_describe = git_describe[:git_describe.rindex("-dirty")]
+        git_describe = git_describe[: git_describe.rindex("-dirty")]
 
     # now we have TAG-NUM-gHEX or HEX
 
     if "-" in git_describe:
         # TAG-NUM-gHEX
-        mo = re.search(r'^(.+)-(\d+)-g([0-9a-f]+)$', git_describe)
+        mo = re.search(r"^(.+)-(\d+)-g([0-9a-f]+)$", git_describe)
         if not mo:
             # unparseable. Maybe git-describe is misbehaving?
-            pieces["error"] = ("unable to parse git-describe output: '%s'" % describe_out)
+            pieces["error"] = "unable to parse git-describe output: '%s'" % describe_out
             return pieces
 
         # tag
@@ -286,9 +284,9 @@ def git_pieces_from_vcs(tag_prefix, root, verbose, run_command=run_command):
             if verbose:
                 fmt = "tag '%s' doesn't start with prefix '%s'"
                 print(fmt % (full_tag, tag_prefix))
-            pieces["error"] = ("tag '%s' doesn't start with prefix '%s'" % (full_tag, tag_prefix))
+            pieces["error"] = "tag '%s' doesn't start with prefix '%s'" % (full_tag, tag_prefix)
             return pieces
-        pieces["closest-tag"] = full_tag[len(tag_prefix):]
+        pieces["closest-tag"] = full_tag[len(tag_prefix) :]
 
         # distance: number of commits since tag
         pieces["distance"] = int(mo.group(2))
@@ -453,7 +451,7 @@ def render(pieces, style):
             "full-revisionid": pieces.get("long"),
             "dirty": None,
             "error": pieces["error"],
-            "date": None
+            "date": None,
         }
 
     if not style or style == "default":
@@ -479,7 +477,7 @@ def render(pieces, style):
         "full-revisionid": pieces["long"],
         "dirty": pieces["dirty"],
         "error": None,
-        "date": pieces.get("date")
+        "date": pieces.get("date"),
     }
 
 
@@ -503,15 +501,15 @@ def get_versions():
         # versionfile_source is the relative path from the top of the source
         # tree (where the .git directory might live) to this file. Invert
         # this to find the root from __file__.
-        for i in cfg.versionfile_source.split('/'):
+        for i in cfg.versionfile_source.split("/"):
             root = os.path.dirname(root)
     except NameError:
         return {
             "version": "0+unknown",
             "full-revisionid": None,
             "dirty": None,
             "error": "unable to find root of source tree",
-            "date": None
+            "date": None,
         }
 
     try:
@@ -531,5 +529,5 @@ def get_versions():
         "full-revisionid": None,
         "dirty": None,
         "error": "unable to compute version",
-        "date": None
+        "date": None,
     }

qcfractal/alembic/env.py

@@ -1,11 +1,8 @@
-
 from logging.config import fileConfig
 
-import yaml
+from alembic import context
 from sqlalchemy import engine_from_config, pool
 
-from alembic import context
-from qcfractal.config import FractalConfig
 from qcfractal.storage_sockets.models import Base
 
 # this is the Alembic Config object, which provides
@@ -30,8 +27,8 @@
 # ... etc.
 
 # Overwrite the ini-file sqlalchemy.url path
-uri = context.get_x_argument(as_dictionary=True).get('uri')
-config.set_main_option('sqlalchemy.url', uri)
+uri = context.get_x_argument(as_dictionary=True).get("uri")
+config.set_main_option("sqlalchemy.url", uri)
 
 
 def run_migrations_offline():
@@ -47,10 +44,7 @@ def run_migrations_offline():
 
     """
     url = config.get_main_option("sqlalchemy.url")
-    context.configure(
-        url=url, target_metadata=target_metadata, literal_binds=True,
-        compare_type = compare_type
-    )
+    context.configure(url=url, target_metadata=target_metadata, literal_binds=True, compare_type=compare_type)
 
     with context.begin_transaction():
         context.run_migrations()
@@ -64,16 +58,11 @@ def run_migrations_online():
 
     """
     connectable = engine_from_config(
-        config.get_section(config.config_ini_section),
-        prefix="sqlalchemy.",
-        poolclass=pool.NullPool,
+        config.get_section(config.config_ini_section), prefix="sqlalchemy.", poolclass=pool.NullPool
     )
 
     with connectable.connect() as connection:
-        context.configure(
-            connection=connection, target_metadata=target_metadata,
-            compare_type = compare_type
-        )
+        context.configure(connection=connection, target_metadata=target_metadata, compare_type=compare_type)
 
         with context.begin_transaction():
             context.run_migrations()

qcfractal/alembic/versions/05ceea11b78a_base_records_msgpack_2.py

@@ -10,13 +10,14 @@
 
 import os
 import sys
+
 sys.path.insert(1, os.path.dirname(os.path.abspath(__file__)))
 from migration_helpers import msgpack_migrations
 from qcelemental.util import msgpackext_dumps, msgpackext_loads
 
 # revision identifiers, used by Alembic.
-revision = '05ceea11b78a'
-down_revision = '8b0cd9accaf2'
+revision = "05ceea11b78a"
+down_revision = "8b0cd9accaf2"
 branch_labels = None
 depends_on = None
 

qcfractal/alembic/versions/1134312ad4a3_results_msgpack_2.py

@@ -10,12 +10,13 @@
 
 import os
 import sys
+
 sys.path.insert(1, os.path.dirname(os.path.abspath(__file__)))
 from migration_helpers import msgpack_migrations
 
 # revision identifiers, used by Alembic.
-revision = '1134312ad4a3'
-down_revision = '84c94a48e491'
+revision = "1134312ad4a3"
+down_revision = "84c94a48e491"
 branch_labels = None
 depends_on = None