Propogate Python exceptions through err_handler

README.md

@@ -85,17 +85,17 @@ plt.show()
 ## Citing this Work
 This work was authored by researchers at the National Renewable Energy Laboratory (NREL). The project is tracked in NREL's software records under SWR-24-137 and has a DOI available for citing the work. If you use use this package in your work, please include the following citation:
 
-> Placeholder... waiting for DOI.
+> Randall, Corey R. "scikit-SUNDAE ((SUN)DIALS Differential Algebraic Equations) [SWR-24-137]." Computer software. url: https://github.com/NREL/scikit-sundae. doi: https://doi.org/10.11578/dc.20241104.3.
 
 For convenience, we also provide the following for your BibTex:
 
 ```
-@misc{Randall2024,
-  title = {{scikit-SUNDAE: Python bindings to SUNDIALS DAE solvers}},
+@misc{Randall-2024,
+  title = {{scikit-SUNDAE ((SUN)DIALS Differential Algebraic Equations) [SWR-24-137]}},
   author = {Randall, Corey R.},
-  year = {2024},
-  doi = {placeholder... waiting for DOI},
+  doi = {10.11578/dc.20241104.3},
   url = {https://github.com/NREL/scikit-sundae},
+  year = {2024},
 }
 ```
 

docs/source/_templates/copyright.html

@@ -0,0 +1,12 @@
+{# Displays the copyright information (which is defined in conf.py). #}
+{% if show_copyright and copyright %}
+  <p class="copyright">
+    {% if hasdoc('copyright') %}
+      © <a href="{{ pathto('copyright') }}">{% trans copyright=copyright|e %}Copyright {{ copyright }}{% endtrans %}</a>.
+      <br/>
+    {% else %}
+      {% trans copyright=copyright|e %}© {{ copyright }}.{% endtrans %}
+      <br/>
+    {% endif %}
+  </p>
+{% endif %}

docs/source/conf.py

@@ -9,7 +9,7 @@
 import sksundae as sun
 
 project = 'scikit-sundae'
-copyright = '2024, Corey R. Randall'
+copyright = 'Alliance for Sustainable Energy, LLC'
 author = 'Corey R. Randall'
 version = sun.__version__
 release = sun.__version__

environments/ci_environment.yml

@@ -2,4 +2,4 @@ name: sun
 channels:
   - conda-forge
 dependencies:
-  - sundials=7.1
+  - sundials=7.2

environments/rtd_environment.yml

@@ -4,7 +4,7 @@ channels:
   - defaults
 dependencies:
   - python=3.12
-  - sundials=7.1
+  - sundials=7.2
   - pip>=24.3
   - pip:
     - ../.[docs]

scripts/version_checker.py

@@ -0,0 +1,132 @@
+import requests
+import argparse
+from packaging.version import Version
+
+
+def get_latest_version(package: str, prefix: str = None) -> str:
+    """
+    Fetch the latest version with matching prefix from PyPI.
+
+    Parameters
+    ----------
+    package : str
+        The name of the package to query.
+    prefix : str
+        A filtering prefix used to get a subset of releases, e.g., '1.1' will
+        return the latest patch to version 1.1 even if 1.2 exists.
+
+    Returns
+    -------
+    latest_version : str
+        The latest version available on PyPI. '0.0.0' is returned if there
+        are no versions.
+
+    Raises
+    ------
+    ValueError
+        Failed to fetch PyPI data for requested package.
+
+    """
+
+    url = f"https://pypi.org/pypi/{package}/json"
+
+    response = requests.get(url)
+    if response.status_code != 200:
+        raise ValueError(f"Failed to fetch PyPI data for '{package}'.")
+
+    data = response.json()
+    versions = list(data['releases'].keys())
+    if not versions:
+        print(f"{package=} not found on PyPI.")
+        return '0.0.0'
+
+    if prefix:
+        versions = [v for v in versions if v.startswith(prefix)]
+        assert len(versions) != 0, f"{prefix=} has no existing matches."
+
+    sorted_versions = sorted(versions, key=Version, reverse=True)
+    latest_version = sorted_versions[0]
+
+    print(f"Latest PyPI version for {package}: {latest_version}.")
+    return latest_version
+
+
+def check_against_pypi(pypi: str, local: str) -> None:
+    """
+    Verify the local version is newer than PyPI.
+
+    Parameters
+    ----------
+    pypi : str
+        Latest version on PyPI.
+    local : str
+        Local package version.
+
+    Returns
+    -------
+    None.
+
+    Raises
+    ------
+    ValueError
+        Local package is older than PyPI.
+
+    """
+
+    pypi = Version(pypi)
+    local = Version(local)
+
+    if local < pypi:
+        raise ValueError(f"Local package {local} is older than PyPI {pypi}.")
+
+    print(f"Local package {local} is newer than PyPI {pypi}.")
+
+
+def check_against_tag(tag: str, local: str) -> None:
+    """
+    Check that the tag matches the package version.
+
+    Parameters
+    ----------
+    tag : str
+        Semmantically versioned tag.
+    local : str
+        Local package version.
+
+    Returns
+    -------
+    None.
+
+    Raises
+    ------
+    ValueError
+        Version mismatch: tag differs from local.
+
+    """
+
+    tag = Version(tag)
+    local = Version(local)
+
+    if tag != local:
+        raise ValueError(f"Version mismatch: {tag=} vs. {local=}")
+
+    print(f"Local and tag versions match: {tag} == {local}.")
+
+
+if __name__ == '__main__':
+    parser = argparse.ArgumentParser()
+    parser.add_argument('--tag', required=True)
+    parser.add_argument('--local', required=True)
+    args = parser.parse_args()
+
+    check_against_tag(args.tag, args.local)
+
+    patch_check = Version(args.local)
+    if patch_check.micro > 0:
+        prefix = str(patch_check.major) + '.' + str(patch_check.minor)
+    else:
+        prefix = None
+
+    pypi = get_latest_version('scikit-sundae', prefix)
+
+    check_against_pypi(pypi, args.local)

src/sksundae/__init__.py

@@ -61,4 +61,4 @@
 
 __all__ = ['ida', 'utils', 'cvode', 'SUNDIALS_VERSION']
 
-__version__ = '1.0.0rc3'
+__version__ = '1.0.0'

src/sksundae/_cy_common.pxd

@@ -4,7 +4,7 @@
 cimport numpy as np
 
 # Extern cdef headers
-from .c_sundials cimport *  # Access to types
+from .c_sundials cimport *  # Access to C types
 
 # Convert between N_Vector and numpy array
 cdef svec2np(N_Vector nvec, np.ndarray[DTYPE_t, ndim=1] np_array)

src/sksundae/_cy_cvode.pyx

@@ -83,7 +83,7 @@ LSMESSAGES = {
 
 
 cdef int _rhsfn_wrapper(sunrealtype t, N_Vector yy, N_Vector yp,
-                        void* data) noexcept:
+                        void* data) except? -1:
     """Wraps 'rhsfn' by converting between N_Vector and ndarray types."""
 
     aux = <AuxData> data
@@ -101,7 +101,7 @@ cdef int _rhsfn_wrapper(sunrealtype t, N_Vector yy, N_Vector yp,
 
 
 cdef int _eventsfn_wrapper(sunrealtype t, N_Vector yy, sunrealtype* ee,
-                           void* data) noexcept:
+                           void* data) except? -1:
     """Wraps 'eventsfn' by converting between N_Vector and ndarray types."""
 
     aux = <AuxData> data
@@ -120,7 +120,7 @@ cdef int _eventsfn_wrapper(sunrealtype t, N_Vector yy, sunrealtype* ee,
 
 cdef int _jacfn_wrapper(sunrealtype t, N_Vector yy, N_Vector fy, SUNMatrix JJ,
                         void* data, N_Vector tmp1, N_Vector tmp2,
-                        N_Vector tmp3) noexcept:
+                        N_Vector tmp3) except? -1:
     """Wraps 'jacfn' by converting between N_Vector and ndarray types."""
 
     aux = <AuxData> data
@@ -140,7 +140,7 @@ cdef int _jacfn_wrapper(sunrealtype t, N_Vector yy, N_Vector fy, SUNMatrix JJ,
 
 cdef void _err_handler(int line, const char* func, const char* file,
                        const char* msg, int err_code, void* err_user_data,
-                       SUNContext ctx) noexcept:
+                       SUNContext ctx) except *:
     """Custom error handler for shorter messages (no line or file)."""
 
     decoded_func = func.decode("utf-8")

src/sksundae/_cy_ida.pyx

@@ -81,7 +81,7 @@ LSMESSAGES = {
 
 
 cdef int _resfn_wrapper(sunrealtype t, N_Vector yy, N_Vector yp, N_Vector rr,
-                        void* data) noexcept:
+                        void* data) except? -1:
     """Wraps 'resfn' by converting between N_Vector and ndarray types."""
 
     aux = <AuxData> data
@@ -100,7 +100,7 @@ cdef int _resfn_wrapper(sunrealtype t, N_Vector yy, N_Vector yp, N_Vector rr,
 
 
 cdef int _eventsfn_wrapper(sunrealtype t, N_Vector yy, N_Vector yp,
-                           sunrealtype* ee, void* data) noexcept:
+                           sunrealtype* ee, void* data) except? -1:
     """Wraps 'eventsfn' by converting between N_Vector and ndarray types."""
 
     aux = <AuxData> data
@@ -120,7 +120,7 @@ cdef int _eventsfn_wrapper(sunrealtype t, N_Vector yy, N_Vector yp,
 
 cdef int _jacfn_wrapper(sunrealtype t, sunrealtype cj, N_Vector yy, N_Vector yp,
                         N_Vector rr, SUNMatrix JJ, void* data, N_Vector tmp1,
-                        N_Vector tmp2, N_Vector tmp3) noexcept:
+                        N_Vector tmp2, N_Vector tmp3) except? -1:
     """Wraps 'jacfn' by converting between N_Vector and ndarray types."""
 
     aux = <AuxData> data
@@ -142,7 +142,7 @@ cdef int _jacfn_wrapper(sunrealtype t, sunrealtype cj, N_Vector yy, N_Vector yp,
 
 cdef void _err_handler(int line, const char* func, const char* file,
                        const char* msg, int err_code, void* err_user_data,
-                       SUNContext ctx) noexcept:
+                       SUNContext ctx) except *:
     """Custom error handler for shorter messages (no line or file)."""
 
     decoded_func = func.decode("utf-8")

src/sksundae/c_cvode.pxd

@@ -6,8 +6,8 @@ from .c_sundials cimport *  # Access to types
 cdef extern from "cvode/cvode.h":
 
     # user-supplied functions
-    ctypedef int (*CVRhsFn)(sunrealtype t, N_Vector yy, N_Vector yp, void* data)
-    ctypedef int (*CVRootFn)(sunrealtype t, N_Vector yy, sunrealtype* ee, void* data)
+    ctypedef int (*CVRhsFn)(sunrealtype t, N_Vector yy, N_Vector yp, void* data) except? -1
+    ctypedef int (*CVRootFn)(sunrealtype t, N_Vector yy, sunrealtype* ee, void* data) except? -1
 
     # imethod
     int CV_ADAMS
@@ -66,8 +66,8 @@ cdef extern from "cvode/cvode.h":
 cdef extern from "cvode/cvode_ls.h":
 
     # user-supplied functions
-    ctypedef int (*CVLsJacFn)(sunrealtype t, N_Vector yy, N_Vector fy, SUNMatrix JJ,
-                              void* data, N_Vector tmp1, N_Vector tmp2, N_Vector tmp3)
+    ctypedef int (*CVLsJacFn)(sunrealtype t, N_Vector yy, N_Vector fy, SUNMatrix JJ, void* data,
+                              N_Vector tmp1, N_Vector tmp2, N_Vector tmp3) except? -1
 
     # exported functions
     int CVodeSetLinearSolver(void* mem, SUNLinearSolver LS, SUNMatrix A)

src/sksundae/c_ida.pxd

@@ -6,8 +6,8 @@ from .c_sundials cimport *
 cdef extern from "ida/ida.h":
 
     # user-supplied functions
-    ctypedef int (*IDAResFn)(sunrealtype t, N_Vector yy, N_Vector yp, N_Vector rr, void* data)
-    ctypedef int (*IDARootFn)(sunrealtype t, N_Vector yy, N_Vector yp, sunrealtype* ee, void* data)
+    ctypedef int (*IDAResFn)(sunrealtype t, N_Vector yy, N_Vector yp, N_Vector rr, void* data) except? -1
+    ctypedef int (*IDARootFn)(sunrealtype t, N_Vector yy, N_Vector yp, sunrealtype* ee, void* data) except? -1
 
     # itask
     int IDA_NORMAL
@@ -73,7 +73,7 @@ cdef extern from "ida/ida_ls.h":
     # user-supplied functions
     ctypedef int (*IDALsJacFn)(sunrealtype t, sunrealtype cj, N_Vector yy, N_Vector yp,
                                N_Vector rr, SUNMatrix JJ, void* data, N_Vector tmp1,
-                               N_Vector tmp2, N_Vector tmp3)
+                               N_Vector tmp2, N_Vector tmp3) except? -1
 
     # exported functions
     int IDASetLinearSolver(void* mem, SUNLinearSolver LS, SUNMatrix A)

src/sksundae/c_sundials.pxd

@@ -35,7 +35,7 @@ cdef extern from "sundials/sundials_types.h":
     ctypedef int SUNComm
     ctypedef void (*SUNErrHandlerFn)(int line, const char* func, const char* file,
                                      const char* msg, int err_code, void* err_user_data,
-                                     SUNContext ctx)
+                                     SUNContext ctx) except *
 
     int SUN_COMM_NULL