Merge branch 'develop' into documentation

.github/workflows/pytest.yml

@@ -43,4 +43,4 @@ jobs:
           uv pip freeze --system
 
       - name: Run tests
-        run: pytest --cov=pyerrors -vv
+        run: pytest --cov=pyerrors -vv -Werror

examples/06_gevp.ipynb

@@ -151,7 +151,7 @@
     "\n",
     "$$C_{\\textrm{projected}}(t)=v_1^T \\underline{C}(t) v_2$$\n",
     "\n",
-    "If we choose the vectors to be $v_1=v_2=(0,1,0,0)$, we should get the same correlator as in the cell above. \n",
+    "If we choose the vectors to be $v_1=v_2=(1,0,0,0)$, we should get the same correlator as in the cell above. \n",
     "\n",
     "Thinking about it this way is usefull in the Context of the generalized eigenvalue problem (GEVP), used to find the source-sink combination, which best describes a certain energy eigenstate.\n",
     "A good introduction is found in https://arxiv.org/abs/0902.1265."

pyerrors/input/pandas.py

@@ -1,6 +1,7 @@
 import warnings
 import gzip
 import sqlite3
+from contextlib import closing
 import pandas as pd
 from ..obs import Obs
 from ..correlators import Corr
@@ -29,9 +30,8 @@ def to_sql(df, table_name, db, if_exists='fail', gz=True, **kwargs):
     None
     """
     se_df = _serialize_df(df, gz=gz)
-    con = sqlite3.connect(db)
+    with closing(sqlite3.connect(db)) as con:
-    se_df.to_sql(table_name, con, if_exists=if_exists, index=False, **kwargs)
+        se_df.to_sql(table_name, con=con, if_exists=if_exists, index=False, **kwargs)
-    con.close()
 
 
 def read_sql(sql, db, auto_gamma=False, **kwargs):
@@ -52,9 +52,8 @@ def read_sql(sql, db, auto_gamma=False, **kwargs):
     data : pandas.DataFrame
         Dataframe with the content of the sqlite database.
     """
-    con = sqlite3.connect(db)
+    with closing(sqlite3.connect(db)) as con:
-    extract_df = pd.read_sql(sql, con, **kwargs)
+        extract_df = pd.read_sql(sql, con=con, **kwargs)
-    con.close()
     return _deserialize_df(extract_df, auto_gamma=auto_gamma)
 
 

setup.py

@@ -30,7 +30,6 @@ setup(name='pyerrors',
       classifiers=[
           'Development Status :: 5 - Production/Stable',
           'Intended Audience :: Science/Research',
-          'License :: OSI Approved :: MIT License',
           'Programming Language :: Python :: 3',
           'Programming Language :: Python :: 3.9',
           'Programming Language :: Python :: 3.10',