Add dakota.rst restart capability to python env

.gitignore

@@ -1,251 +1,9 @@
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-# Custom
 .py-build-cmake_cache/
 build.sh
 dakota
 dakota_wheel-*
 wheelhouse
-itis_dakota/.version
+itis_dakota/_version.py

Makefile

@@ -21,6 +21,7 @@ get-dakota-src:
 		git submodule update --init packages/pecos && \
 		git submodule update --init packages/surfpack && \
 		git apply ../src_patches/dakota-src.patch && \
+		git apply ../src_patches/dakenv_restart.patch && \
 		git apply --whitespace=nowarn ../src_patches/adaptsampl_batch.patch && \
 	    find . \( -name \*.cpp -o -name \*.hpp -o -name \*.c -o -name \*.h \) -exec \
 			sed -i -E -f ../src_patches/replace_old_macros_numpy.sed {} +

build_backend/build.py

@@ -0,0 +1,40 @@
+import subprocess
+import sys
+
+import py_build_cmake.build
+
+
+def build_wheel(
+    wheel_directory, config_settings=None, metadata_directory=None
+):
+    # Run setuptools_scm
+    subprocess.run(
+        [
+            sys.executable,
+            "-m",
+            "setuptools_scm",
+            "--force-write-version-files",
+        ],
+        check=True,
+    )
+
+    # Run the py_build_cmake build
+    return py_build_cmake.build.build_wheel(
+        wheel_directory, config_settings, metadata_directory
+    )
+
+
+def build_sdist(sdist_directory, config_settings=None):
+    # Run setuptools_scm
+    subprocess.run(
+        [
+            sys.executable,
+            "-m",
+            "setuptools_scm",
+            "--force-write-version-files",
+        ],
+        check=True,
+    )
+
+    # Run the py_build_cmake build
+    return py_build_cmake.build.build_sdist(sdist_directory, config_settings)

pyproject.toml

@@ -18,15 +18,13 @@ issues = "https://github.com/ITISFoundation/itis-dakota/issues"
 [build-system]
 requires = [
     "py-build-cmake",
-    "numpy",
-    "h5py",
     "auditwheel",
-    "flit",
-    "flit-core",
     "setuptools",
-    "setuptools_scm"
+    "setuptools_scm",
+    "numpy"
 ]
-build-backend = "py_build_cmake.build"
+build-backend = "build_backend.build"
+backend-path = "."
 
 [tool.setuptools]
 packages = ["itis_dakota"]

src_patches/dakenv_restart.patch

@@ -0,0 +1,67 @@
+diff --git a/src/dakota_python.cpp b/src/dakota_python.cpp
+index 3c717bc..0def5df 100644
+--- a/src/dakota_python.cpp
++++ b/src/dakota_python.cpp
+@@ -92,7 +92,8 @@ namespace python {
+     return resp.function_value(0);
+   }
+
+-  Dakota::LibraryEnvironment* create_libEnv( const std::string& input_string) {
++  Dakota::LibraryEnvironment* create_libEnv( const std::string& input_string,
++                                            const std::string& read_restart) {
+
+       assert(!input_string.empty());
+
+@@ -101,6 +102,10 @@ namespace python {
+       // avoid calling std::exit and taking down the Python instance too
+       opts.exit_mode("throw");
+       opts.input_string(input_string);
++      if (!read_restart.empty())
++      {
++        opts.read_restart_file(read_restart);
++      };
+
+       auto p_libEnv = new Dakota::LibraryEnvironment(opts);
+
+@@ -170,10 +175,11 @@ PYBIND11_MODULE(environment, m) {
+   py::class_<Dakota::LibraryEnvironment>(m, "study")
+     .def(py::init
+ 	 ([](py::object callback,
+-	     const std::string& input_string)
++	     const std::string& input_string,
++         const std::string& read_restart = "")
+ 	  {
+ 	    assert(!input_string.empty());
+-            auto p_libEnv = Dakota::python::create_libEnv(input_string);
++            auto p_libEnv = Dakota::python::create_libEnv(input_string, read_restart);
+
+             // Associate the single python callback with all Pybind11Interface interfaces
+             Dakota::InterfaceList & interfaces = p_libEnv->problem_description_db().interface_list();
+@@ -187,14 +193,15 @@ PYBIND11_MODULE(environment, m) {
+
+ 	    return p_libEnv;
+ 	  })
+-	 , py::arg("callback"), py::arg("input_string"))
++	 , py::arg("callback"), py::arg("input_string"), py::arg("read_restart") = "")
+
+     .def(py::init
+ 	 ([]( py::dict callbacks,
+-	     const std::string& input_string)
++	     const std::string& input_string,
++         const std::string& read_restart = "")
+ 	  {
+ 	    assert(!input_string.empty());
+-            auto p_libEnv = Dakota::python::create_libEnv(input_string);
++            auto p_libEnv = Dakota::python::create_libEnv(input_string, read_restart);
+
+             // Associate callbacks with interface specs
+             auto callbacks_map = callbacks.cast< std::map<std::string,py::function> >();
+@@ -220,7 +227,7 @@ PYBIND11_MODULE(environment, m) {
+
+ 	    return p_libEnv;
+ 	  })
+-	 , py::arg("callbacks"), py::arg("input_string"))
++	 , py::arg("callbacks"), py::arg("input_string"), py::arg("read_restart") = "")
+
+     .def("execute", &Dakota::LibraryEnvironment::execute)
+     .def("variables_results", &Dakota::LibraryEnvironment::variables_results)