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C++ libraries for accessing nuclear data from the Generalized Nuclear Database Structure (GNDS)

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GIDI+

GIDI+ is a collection of C++ libraries for accessing evaluated and processed nuclear data stored in the Generalized Nuclear Database Structure (GNDS). In addition to reading GNDS files, GIDI+ has functions to sum and collapse multi-group data as needed by deterministic transport codes, and to sample GNDS data as needed by Monte Carlo transport codes.

Dependency

GIDI+ requires the third party library pugixml version 1.13. If pugixml is not already present in the GIDI+ Misc directory, download it from https://pugixml.org/2022/11/02/pugixml-1.13-release.html and place it in the 'Misc' folder.

Installation

To clone the GIDI+ Git repository the following command is recommended:

git clone --recurse-submodules ssh://git@czgitlab.llnl.gov:7999/nuclear/gidiplus/gidiplus.git

NOTE: If you have an older version of git (2.2 or lower), use git lfs clone instead of git clone. This is unnecessary on newer versions of git since they handle lfs (Large File Storage) automatically.

Currently, GIDI+ uses the unix make command to build and puts needed header and library files into the include and lib directories, respecitively. Important targets in the Makefile are:

Target Description
default: Builds libgidiplus.a (and all other libraries) and puts them into the 'lib' directory. Puts all needed header files into the 'include' directory.
install: Copies the header files from the 'include' directory to '$(PREFIX)/include'. Copies all '.a' from the 'lib' directory to '$(PREFIX)/lib.'
bin: Compiles binary utilities for testing processed GNDS files in PoPI/bin, GIDI/bin and MCGIDI/bin.
check: Runs the tests in all the sub-libraries. This target requires that the test data have been installed.
realclean: Returns GIDI+ back to its initial state (i.e., removes all files created by the other targets).

GIDI+ uses features from the 2011 C++ standard, so it must be compiled with -std=c++11 or newer. The Makefile selects c++11 by default, or if desired a newer version of the standard can be selected by setting the CXXFLAGS when calling make. GIDI+ supports parallel compilation using the '-j' flag:

make -s -j   # compile with default C++ 2011
# or
make -s -j CXXFLAGS="-std=c++17"

For building executables and running the tests, this would look like:

make -s -j bin
make -s -j check

One may specify the CC and CXX compilers and their flags when building. For example,

make default CC=g++ CXX=g++ CXXFLAGS="-std=c++11 -g -O3" CFLAGS="-std=gnu11 -g -O3"

To put the results into the path /path/to/my/builds, execute

make install CC=gcc CXX=g++ CXXFLAGS="-std=c++11 -g -O3" CFLAGS="-std=gnu11 -g -O3" PREFIX=/path/to/my/builds

If one is using mixed XML/HDF5 GNDS files, HDF5 must be included when building and linking. This is done by specifying the location of HDF5 with the HDF5_PATH macro. For example, if HDF5 is installed on the system, them the following may work:

make -s CXXFLAGS="-std=c++11" HDF5_PATH=/usr

On some systems, the default HDF5 library was compiled for 32-bit execution. To link in with a 64-bit library one also needs to specify the path to the 64-bit libraries. For example,

make -s CXXFLAGS="-std=c++11" HDF5_PATH=/usr HDF5_LIB=/usr/lib64

Comments for compiling on LLNL LC systems:

A set of bash scripts for building on LC systems can be found in the Scripts directory. These scripts first define some environment varibles before executing make.

Working with Git submodules

GIDI+ is composed of submodules that are hosted in their own repositories and Git keeps a record of this in the following files:

  • .gitmodules which contains the local, relative path to the submodules and the URL to the corresponding remote repositories; and

  • files, containing the commit hash for the version used in GIDI+, for each submodule.

Consequently, GIDI+ points to a specific version of each submodule while code updates in the individual submodules continue independently. The submodules may also be in a state called detached HEAD which indicates that GIDI+ is not associated with a submodule's local branch name. This may be observed via the output from the following command:

git submodule foreach 'git status'

The output for a given submodule may contain the string HEAD detached (indicating a submodule in the detached HEAD state) or Your branch is up to date with 'origin/master'. If no code updates are to be done in a submodule in the HEAD detached state, no further action is required. If a submodule is to be updated, it will need to be associated with a branch that contains the commit to which GIDI+ points. For example, to associate GIDI with the master branch use the command:

cd GIDI; git checkout master

or to associated all submodules with master, use

git submodule foreach 'git checkout master'

These commands will associate the submodule(s) with the latest commit in that branch and this may not correspond to the submodule commit to which GIDI+ is pointing. The following command provides the commit hash identifier that GIDI+ points at for each of the submodules:

git ls-tree -r HEAD | grep commit

To list the commit identifiers for the currently checked-out submodules, the following command may be used:

git submodule foreach 'git rev-parse HEAD'

A difference in commit hash identifiers will indicate a difference between the currently checked-out version of the submodule and the version to which GIDI+ is pointing. The command git status in the GIDI+ folder will also indicate if the file associated with the submodule is in the modified state.

It is obviously important that any code updates to the submodule be git push before the corresponding GIDI+ git push command. This prevents future GIDI+ repository checkouts that point to a non-existent submodule commit hash identifier.

License

GIDI+ is distributed under the terms of the MIT license.

All new contributions must be made under the MIT license.

See LICENSE, COPYRIGHT and NOTICE for details.

SPDX-License-Identifier: MIT

This package includes several components:
LLNL-CODE-778320 (GIDI+)

LLNL-CODE-770917 (GIDI)
LLNL-CODE-790397 (MCGIDI)
LLNL-CODE-771182 (statusMessageReporting)
LLNL-CODE-770377 (PoPI)
LLNL-CODE-770134 (numericalFunctions)

FUDGE is a product of the Nuclear Data and Theory Group at Lawrence Livermore National Laboratory (LLNL).

This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

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