Merge pull request #5 from BerkeleyLab/prep-0.1.0-release

Documentation & expanded compiler support

Author: rouson

README.md

@@ -10,50 +10,102 @@ ___________                         .__
 Formal: Fortran mimetic abstraction language
 ============================================
 
-_Towards a formally verifiable, tensor-calculus langauge embedded in Fortran 2028._
+_Towards an embedded domain-specific language (DSL) for tensor calculus and formal verification._
 
-## Examples
+Introduction
+------------
+Formal supports research on mimetic software abstractions for tensor calculus by providing
+
+- Derived types that mimic tensor fields and
+- Differential and integral operators for writing tensor expressions.
+
+Formal's types and operators implement the discrete calculus of [Castillo & Corbino (2020)]:
+mimetic discretizations satisfying discrete versions of tensor calculus theorems.
+
+Like the underlying numerical methods, Formal's software abstractios mimic their tensor calculus counterparts.
+For example, given scalar and vector fields $f$ and $\vec{v}$ defined over a unit volume $V = [0,1]^3$ bounded
+by a surface area $A$, the program [`example/extended-gauss-divergence.F90`] demonstrates satisfaction of the
+extended Gauss divergence theorem: 
+
+$$ \iiint_V (\vec{v} \cdot \nabla f) dV + \iiint_V (f \nabla \cdot \vec{v}) dV = \iint_A f \vec{v} \cdot d\vec{A} $$
+
+Running the program as follows
+```fortran
+fpm run --example extended-gauss-divergence --compiler flang-new --flag -O3
+```
+produces output that includes actual program syntax:
+```fortran
+    f = (x**2)/2 ! <-- scalar function
+    v = x        ! <-- vector function
+.SSS. (v .dot. .grad. f) * dV =  .3333333330205934
+.SSS. (     f * .div. v) * dV =  .16666666739857125
+   -.SS. (f .x. (v .dot. dA)) = -.5000000004191649
+----------------------------------------------------
+                          sum = -.2220446049250313E-15 (residual)
+```
+where the small residual of approximately $-.222 \times 10^{-15}$ evidences a highly accurate approximation.
+
+**Future work:** Formal lays a foundation for defining a DSL embedded in Fortran via template requirements,
+a feature of the forthcoming standard known informally as Fortran 202Y.
+
+Examples
+--------
 See this repository's [example](./example) subdirectory for demonstrations of how
-to use Formal.  For usage information for each example, execute something like:
+to use Formal.  For usage information for each example, execute something like
 ```bash
 fpm run --example <base-name> -- --help
 ```
-where `base-name` is the portion of an example file name preceding the `.F90` or
-`.f90` extension.  To save typing in a terminal window, set the `example`
-directory as your present working directory before issuing the above `fpm run`
-command.  Then use tab completion to enter enter the base name and delete the
-file extension before pressing `return`.
-
-## Prerequisites
+replacing `<base-name>` with the portion of an example file name preceding the `.F90` or
+`.f90` extension.  To save typing in a terminal window, set the `example` directory as
+your present working directory before typing `fpm run` above.  Then use tab completion to
+enter a file name and delete the file extension before pressing `return` or `enter`.
 
+Prerequisite
+------------
 Building and testing Formal requires the Fortran Package Manager  ([`fpm`]),
 which can be obtained via a package manager (e.g., `brew install fpm` on macOS)
 or by compiling the single-file concatenation of the `fpm` source that is
 included among the release assets.  For the `fpm` 0.12.0 release, for example,
 compiling [fpm-0.12.0.F90] and placing the resulting executable file in your
 `PATH` suffices.
 
-## Building and testing
+Building and testing
+--------------------
+ Vendor | Compiler    | Version(s) Tested | Build/Test Command
+--------|-------------|-------------------|-------------------
+ GCC    | `gfortran`  | 14-15             | fpm test --compiler gfortran --profile release
+ GCC    | `gfortran`  | 13                | fpm test --compiler gfortran --profile release --flag "-ffree-line-length-none"
+ Intel  | `ifx`       | 2025.1.2          | FOR_COARRAY_NUM_IMAGES=1 fpm test --compiler ifx --flag "-fpp -O3 -coarray" --profile release
+ LLVM   | `flang-new` | 20-21             | fpm test --compiler flang-new --flag "-O3"
+ LLVM   | `flang-new` | 19                | fpm test --compiler flang-new --flag "-O3 -mmlir -allow-assumed-rank"
+ NAG    | `nagfor`    | 7.2 Build 7242    | fpm test --compiler nagfor --flag "-O3 -fpp"
 
-| Vendor | Compiler    | Version(s) | Build/Test Command                                    |
-|--------|-------------|------------|-------------------------------------------------------|
-| GCC    | `gfortran`  | 14-15      | fpm test --compiler gfortran --profile release        |
-| GCC    | `gfortran`  | 13         | fpm test --compiler gfortran --profile release --flag "-ffree-line-length-none"|
-| Intel  | `ifx`       | 2025.1.2   | FOR_COARRAY_NUM_IMAGES=1 fpm test --compiler ifx --flag "-fpp -O3 -coarray" --profile release |
-| LLVM   | `flang-new` | 20-21      | fpm test --compiler flang-new --flag "-O3"            |
-| LLVM   | `flang-new` | 19         | fpm test --compiler flang-new --flag "-O3 -mmlir -allow-assumed-rank" |
-| NAG    | `nagfor`    | 7.2        | fpm test --compiler nagfor --flag "-O3 -fpp"          |
+With `fpm` versions _after_ 0.12.0, `flang-new` can be shortened to `flang` in the above `fpm` commands.
 
-**Known Issues**
-1. With `fpm` versions _after_ 0.12.0, `flang-new` can be shortened to `flang`.
-2. With NAG 7.2, Build 7235 or later is recommended, but earlier builds might work.
-
-## Documentation
+Documentation
+-------------
 The [`doc/uml/class-diagram.md`] file contains a Mermaid script that generates a
 Unified Modeling Language (UML) class diagram depicting many Formal derived
 types and their interrelationships.  GitHub's web servers render the diagram
 graphically when viewed in a web browser.
 
+Support and Licensing
+---------------------
+Please see [LICENSE.txt] for the copyright and license under which Formal is distributed.
+To report any difficulty with building, testing, or using Formal, please submit an [issue].
+To contribute code, please submit a [pull request] from a fork of Formal.
+
+Funding Acknowledgment
+----------------------
+Formal is a software artifact of research funded by the Competitive Portfolios for Advanced
+Scientific Computing Research Program of the U.S. Department of Energy, Office of Science,
+Office of Advanced Scientific Computing Research under contract DE-AC02-05CH11231.
+
 [`fpm`]: https://github.com/fortran-lang/fpm
 [fpm-0.12.0.F90]: https://github.com/fortran-lang/fpm/releases/download/v0.12.0/fpm-0.12.0.F90
 [`doc/uml/class-diagram.md`]: ./doc/uml/class-diagram.md
+[Castillo & Corbino (2020)]: https://doi.org/10.1016/j.cam.2019.06.042 
+[`example/extended-gauss-divergence.F90`]: ./example/extended-gauss-divergence.F90
+[issue]: https://github.com/berkeleylab/formal/issues
+[pull request]: https://github.com/berkeleylab/formal/pulls
+[LICENSE.txt]: ./LICENSE.txt

example/extended-gauss-divergence.F90

@@ -88,21 +88,21 @@ program extended_gauss_divergence
 
             if (flags%grad_ .or. all_terms) then
               SSS_v_dot_grad_f_dV = .SSS. (v .dot. .grad. f) * dV
-              print '(a,g0)', ".SSS. (v .dot. .grad. f) * dV = ", SSS_v_dot_grad_f_dV
+              print '(a,g0)', ".SSS. (v .dot. .grad. f) * dV =  ", SSS_v_dot_grad_f_dV
             end if
 
             if (flags%div_ .or. all_terms) then
               SSS_f_div_v_dV      = .SSS. (f * .div. v) * dV
-              print '(a,g0)', ".SSS. (     f * .div. v) * dV = ", SSS_f_div_v_dV
+              print '(a,g0)', ".SSS. (     f * .div. v) * dV =  ", SSS_f_div_v_dV
             end if
 
           end associate differential_volume
 
           differential_area: &
           associate(dA => v%dA())
             if (flags%vf_ .or. all_terms) then
-              SS_f_v_dot_dA       =  .SS. (f .x. (v .dot. dA))
-              print '(a,g0)', "     -.SS. (f .x. (v .dot. dA)) = ", -SS_f_v_dot_dA
+              SS_f_v_dot_dA     =  .SS. (f .x. (v .dot. dA))
+              print '(a,g0)', "   -.SS. (f .x. (v .dot. dA)) = ", -SS_f_v_dot_dA
             end if
 
             if (all_terms) then

src/formal/vector_1D_s.F90

@@ -69,7 +69,11 @@ pure module function construct_1D_vector_from_function(initializer, order, cells
 
     integer center
 
+#ifdef NAGFOR
+    associate(D => self%divergence_operator_1D_)
+#else
     associate(D => (self%divergence_operator_1D_))
+#endif
       associate(Dv => D .x. self%values_)
         divergence_1D%tensor_1D_t = tensor_1D_t(Dv(2:size(Dv)-1), self%x_min_, self%x_max_, self%cells_, self%order_)
         associate( &