Various bug fixes + allow non-fortran builds

Found a couple bugs in the current dev branch of ExaConstit
Also turned off the Fortran build requirements as its a pain to get working on most macs...

CMakeLists.txt

@@ -57,7 +57,7 @@ include(${BLT_SOURCE_DIR}/SetupBLT.cmake)
 # set(BUILD_SHARED_LIBS ON CACHE BOOL "Build shared libraries")
 
 if(ENABLE_CUDA)
-  set(CMAKE_CUDA_FLAGS "${CMAKE_CUDA_FLAGS} -restrict -arch ${CUDA_ARCH} --expt-extended-lambda --expt-relaxed-constexpr")
+  set(CMAKE_CUDA_FLAGS "${CMAKE_CUDA_FLAGS} -restrict --extended-lambda --expt-relaxed-constexpr")
 endif()
 
 ################################

scripts/meshing/CMakeLists.txt

@@ -11,7 +11,7 @@ if(ENABLE_OPENMP)
 endif()
 
 if(ENABLE_CUDA)
-   list(APPEND MESHING_DEPENDS cuda)
+   list(APPEND MESHING_DEPENDS cuda CUDA::cublas CUDA::cusparse)
 endif()
 
 if(ENABLE_HIP)

scripts/meshing/mesh_generator.cpp

@@ -50,7 +50,6 @@ int main(int argc, char *argv[])
    lenx = leny = lenz = 1.0;
    int order;
 
-   Mesh *mesh = nullptr;
    OptionsParser args(argc, argv);
    // All the arguments to automatically generate a mesh
    args.AddOption(&auto_mesh, "-auto_mesh", "--automatic-mesh-generator" ,
@@ -93,30 +92,30 @@ int main(int argc, char *argv[])
 
       Vector g_map;
 
-      *mesh = mfem::Mesh::MakeCartesian3D(nx, ny, nz, Element::HEXAHEDRON, lenx, leny, lenz, false);
+      auto mesh = mfem::Mesh::MakeCartesian3D(nx, ny, nz, Element::HEXAHEDRON, lenx, leny, lenz, false);
 
       ifstream igmap(grain_file);
       if (!igmap) {
          cerr << "\nCannot open grain map file: " << grain_file << '\n' << endl;
       }
 
-      int gmapSize = mesh->GetNE();
+      int gmapSize = mesh.GetNE();
       g_map.Load(igmap, gmapSize);
       igmap.close();
 
       // reset boundary conditions from
-      setBdrConditions(mesh);
+      setBdrConditions(&mesh);
 
       // set grain ids as element attributes on the mesh
       // The offset of where the grain index is located is
       // location - 1.
-      setElementGrainIDs(mesh, g_map, 1, 0);
+      setElementGrainIDs(&mesh, g_map, 1, 0);
 
-      mesh->SetCurvature(order);
+      mesh.SetCurvature(order);
 
       ofstream omesh(output_file);
       omesh.precision(14);
-      mesh->Print(omesh);
+      mesh.Print(omesh);
 
    }
 
@@ -126,26 +125,24 @@ int main(int argc, char *argv[])
          cerr << "\nCan not open mesh file: " << vtk_file << endl;
          return 2;
       }
-      mesh = new Mesh(imesh, 1, 1, true);
+      auto mesh = Mesh(imesh, 1, 1, true);
       imesh.close();
 
-      const FiniteElementSpace *nodal_fes = mesh->GetNodalFESpace();
+      const FiniteElementSpace *nodal_fes = mesh.GetNodalFESpace();
 
       if (nodal_fes != NULL) {
          if(order > nodal_fes->GetOrder(0)) {
             printf("Increasing order of the FE Space to %d\n", order);
-            mesh->SetCurvature(order);
+            mesh.SetCurvature(order);
          }
       }
 
-      vtkFixBdrElements(mesh);
+      vtkFixBdrElements(&mesh);
       ofstream omesh(output_file);
       omesh.precision(14);
-      mesh->Print(omesh);
+      mesh.Print(omesh);
    }
 
-   delete mesh;
-
    return 0;
 
 }

src/CMakeLists.txt

@@ -35,9 +35,15 @@ set(EXACONSTIT_SOURCES
     system_driver.cpp
     option_parser.cpp
     ./umat_tests/userumat.cxx
-    ./umat_tests/umat.f
     )
 
+if (ENABLE_FORTRAN)
+    list(APPEND EXACONSTIT_SOURCES ./umat_tests/umat.f)
+else()
+    list(APPEND EXACONSTIT_SOURCES ./umat_tests/umat.cxx)
+endif()
+
+
 #------------------------------------------------------------------------------
 # Dependencies
 #------------------------------------------------------------------------------

src/umat_tests/umat.cxx

@@ -0,0 +1,45 @@
+#include <stdlib.h>
+#include <string.h>
+#include <stdio.h>
+
+#include <iostream>
+#include <sstream>
+#include <string>
+#include <iomanip>
+
+#define real8 double
+
+#ifdef WIN32
+#define UMAT_API __declspec(dllexport)
+#elif defined(__clang__)
+#define UMAT_API extern "C"
+#define UMAT umat
+#else
+#define UMAT_API extern "C"
+#define UMAT umat_
+#endif
+
+UMAT_API
+void UMAT(real8 *stress, real8 *statev, real8 *ddsdde,
+          real8 *sse, real8 *spd, real8 *scd, real8 *rpl,
+          real8 *ddsdt, real8 *drplde, real8 *drpldt,
+          real8 *stran, real8 *dstran, real8 *time,
+          real8 *deltaTime, real8 *tempk, real8 *dtemp, real8 *predef,
+          real8 *dpred, real8 *cmname, int *ndi, int *nshr, int *ntens,
+          int *nstatv, real8 *props, int *nprops, real8 *coords,
+          real8 *drot, real8 *pnewdt, real8 *celent,
+          real8 *dfgrd0, real8 *dfgrd1, int *noel, int *npt,
+          int *layer, int *kspt, int *kstep, int *kinc)
+{
+      sse[0] += 1.0;
+      spd[0] += 1.0;
+      scd[0] += 1.0;
+      rpl[0] += 1.0;
+      drpldt[0] += 1.0;
+      for (int i = 0; i < ntens[0]; i++){
+            drplde[i] += 1.0;
+            for (int j = 0; j < ntens[0]; j++) {
+                  ddsdde[j * ntens[0] + i] += 1;
+            }
+      }
+}

workflows/Stage3/pre_main_post_script/voxel_coarsen/Cargo.toml

@@ -6,20 +6,29 @@ edition = "2021"
 # See more keys and their definitions at https://doc.rust-lang.org/cargo/reference/manifest.html
 
 [dependencies]
-data_reader = {git="https://github.com/rcarson3/rust_data_reader.git", features=["mmap"]}
-anyhow = "1.0"
+data_reader = {git="https://github.com/rcarson3/rust_data_reader.git"}
+anyhow = {version="1.0"}
 rand = {version = "0.8"}
-polars = {version = "0.24.3", optional=true}
-numpy = "0.17"
-pyo3 = { version = "0.17", features = ["abi3-py37", "extension-module", "multiple-pymethods", "anyhow"] }
+polars = {version = "0.30.0", optional=true, features = ["csv"]}
+numpy = {version = "0.21", optional=true}
+pyo3 = { version = "0.21", optional=true, features = ["abi3-py37", "extension-module", "multiple-pymethods", "anyhow"] }
 
 [features]
+python = ["numpy", "pyo3"]
 polar = ["polars"]
 
 [lib]
 name = "voxel_coarsen"
 crate-type = ["cdylib", "rlib"]
 
 [profile.release]
+opt-level = 3
 codegen-units = 1
-lto = true
+lto = true
+
+[profile.test]
+opt-level = 3
+debug = false
+lto = true
+incremental = false
+codegen-units = 1

workflows/Stage3/pre_main_post_script/voxel_coarsen/setup.py

@@ -4,8 +4,8 @@
 setup(
     name="rust_voxel_coarsen",
     version="0.1",
-    rust_extensions=[RustExtension("rust_voxel_coarsen.rust_voxel_coarsen", binding=Binding.PyO3, debug=False,)],
+    rust_extensions=[RustExtension("rust_voxel_coarsen.rust_voxel_coarsen", binding=Binding.PyO3, debug=False,features=["python"])],
     packages=["rust_voxel_coarsen"],
     # rust extensions are not zip safe, just like C-extensions.
     zip_safe=False,
-)
+)

workflows/Stage3/pre_main_post_script/voxel_coarsen/src/coarsen/mod.rs

@@ -10,31 +10,25 @@ use std::cmp::Ordering;
 use std::convert::TryFrom;
 
 #[cfg(not(feature = "polars"))]
-fn read_data(f: &str) -> Result<reader::ReaderResults<i32>, Error> {
+fn read_data(f: &str) -> Result<Box<dyn reader::ReaderResults<i32>>, Error> {
     let params = reader::ReaderParams {
         comments: Some(b'%'),
         delimiter: reader::Delimiter::Any(b','),
         skip_header: Some(2),
         skip_footer: None,
         usecols: None,
         max_rows: None,
+        row_format: false,
+        ..Default::default()
     };
 
     reader::load_txt_i32(f, &params)
 }
 
 #[cfg(feature = "polars")]
-fn read_data(f: &str) -> Result<reader::ReaderResults<i32>, Error> {
-    let params = reader::ReaderParams {
-        comments: Some(b'%'),
-        delimiter: reader::Delimiter::Any(b','),
-        skip_header: Some(2),
-        skip_footer: None,
-        usecols: None,
-        max_rows: None,
-    };
-
-    reader::load_txt_i32(f, &params);
+fn read_data(f: &str) -> PolarsResult<DataFrame> {
+    CsvReader::from_path(f)?.has_header(false).with_skip_rows(2)
+               .with_delimiter(b'%').with_comment_char(Some(b',')).finish()
 }
 
 fn sort_data(chunk_size: usize, data: &mut [i32]) {
@@ -124,13 +118,10 @@ pub fn voxel_coarsen(file: &str, coarsen_size: usize) -> Result<((usize, usize,
     let read_results = read_data(file)?;
 
     // Find the box size of things
-    let cols = vec![0, 1, 2, 3];
-    let col_results = read_results.get_cols(cols);
-
     let box_size = {
-        let x = &col_results[0];
-        let y = &col_results[1];
-        let z = &col_results[2];
+        let x = read_results.get_inner_lanes(0);
+        let y = read_results.get_inner_lanes(1);
+        let z = read_results.get_inner_lanes(2);
         let mut min = (0, 0, 0);
         let mut max = (0, 0, 0);
         min.0 = *x.iter().min().unwrap();
@@ -157,9 +148,10 @@ pub fn voxel_coarsen(file: &str, coarsen_size: usize) -> Result<((usize, usize,
         ));
     }
 
-    let mut data = col_results[3].clone();
+    let mut data = read_results.get_col(3);
+    let col_result = read_results.get_inner_lanes(3);
+    rearrange_data(col_result, &box_size, coarsen_size, &mut data);
 
-    rearrange_data(&col_results[3], &box_size, coarsen_size, &mut data);
     sort_data(coarsen_size, &mut data);
 
     let block_size = coarsen_size.pow(3);

workflows/Stage3/pre_main_post_script/voxel_coarsen/src/pycoarsen/mod.rs

@@ -1,19 +1,19 @@
 use numpy::PyArray1;
-use pyo3::{pymodule, types::PyModule, PyResult, Python};
+use pyo3::{pymodule, Bound, types::PyModule, PyResult, Python};
 
 use crate::coarsen::voxel_coarsen;
 
 #[pymodule]
-fn rust_voxel_coarsen(_py: Python<'_>, m: &PyModule) -> PyResult<()> {
+fn rust_voxel_coarsen(_py: Python<'_>, m: &Bound<'_, PyModule>) -> PyResult<()> {
     #[pyfn(m)]
     #[pyo3(name = "voxel_coarsen")]
     fn voxel_coarsen_py<'py>(
         py: Python<'py>,
         file: &str,
         coarsen_size: usize,
-    ) -> anyhow::Result<((usize, usize, usize), &'py PyArray1<i32>)> {
+    ) -> anyhow::Result<((usize, usize, usize), Bound<'py, PyArray1<i32>>)> {
         let result = voxel_coarsen(file, coarsen_size)?;
-        Ok((result.0, PyArray1::from_vec(py, result.1)))
+        Ok((result.0, PyArray1::from_vec_bound(py, result.1)))
     }
 
     Ok(())