From a9986acadf1c337757304dc6959b3108e42072bb Mon Sep 17 00:00:00 2001 From: Jonah Miller Date: Thu, 7 Jul 2022 15:55:11 -0600 Subject: [PATCH 1/3] changelog and cleanup --- .github/PULL_REQUEST_TEMPLATE.md | 1 + CHANGELOG.md | 19 ++++++++ doc/sphinx/index.rst | 2 +- doc/sphinx/src/contributing.rst | 16 +++---- sesame2spiner/README.md | 76 ++------------------------------ 5 files changed, 32 insertions(+), 82 deletions(-) create mode 100644 CHANGELOG.md diff --git a/.github/PULL_REQUEST_TEMPLATE.md b/.github/PULL_REQUEST_TEMPLATE.md index 9c5568a36c..5b0edf7063 100644 --- a/.github/PULL_REQUEST_TEMPLATE.md +++ b/.github/PULL_REQUEST_TEMPLATE.md @@ -17,3 +17,4 @@ detail. Why is this change required? What problem does it solve?--> - [ ] Format your changes by using the `make format` command after configuring with `cmake`. - [ ] Document any new features, update documentation for changes made. - [ ] Make sure the copyright notice on any files you modified is up to date. +- [ ] After creating a pull request, note it in the CHANGELOG.md file diff --git a/CHANGELOG.md b/CHANGELOG.md new file mode 100644 index 0000000000..29d75ea98e --- /dev/null +++ b/CHANGELOG.md @@ -0,0 +1,19 @@ +# Changelog + +## Current develop + +### Added (new features/APIs/variables/...) + +### Changed (changing behavior/API/variables/...) +- [[PR146]](https://github.com/lanl/singularity-eos/pull/146) Changes needed to cmake to enable spackage upstream + +### Fixed (not changing behavior/API/variables/...) + +### Infrastructure (changes irrelevant to downstream codes) + +### Removed (removing behavior/API/varaibles/...) + +## Release 1.6.0 +Date: 07/07/2022 + +This is the start of changelog diff --git a/doc/sphinx/index.rst b/doc/sphinx/index.rst index a3bc9af9bd..8c114f6eef 100644 --- a/doc/sphinx/index.rst +++ b/doc/sphinx/index.rst @@ -21,9 +21,9 @@ Documentation approved for unlimited release. LA-UR-21-31131. src/models src/modifiers src/using-closures + src/python src/contributing src/sphinx-doc - src/python Indices and tables ================== diff --git a/doc/sphinx/src/contributing.rst b/doc/sphinx/src/contributing.rst index cc6d604dbd..5651e0beee 100644 --- a/doc/sphinx/src/contributing.rst +++ b/doc/sphinx/src/contributing.rst @@ -15,6 +15,10 @@ submit a pull request. A pull request should have a summary of changes. You should also add tests for bugs fixed or new features you add. +We have a changelog file, ``CHANGELOG.md``. After creating your pull +request, add the relevant change and a link to the PR in the +changelog. + Before a pull request will be merged, the code should be formatted. We use clang-format for this, pinned to version 12. You can automatically trigger ``clang-format`` in two ways: first you can run the script @@ -46,14 +50,6 @@ and we'll engage with you to figure out how to proceed. Notes for Contribuors --------------------------------------- -The ``Variant`` class and ``mpark::variant`` -```````````````````````````````````````````` - -Work in progress. Things to cover: - -* Type erasure -* Unified API - The CRTP slass structure and static polymorphism ```````````````````````````````````````````````` @@ -243,3 +239,7 @@ itself is an exact representation of itself and the difference from To invert, we use the built in function that inverts ``frexp``, ``ldexp``, which combines the mantissa and exponent into the original floating point representation. + +This approach is described in more detail in our `short note`_ on the topic. + +.. _Short note: https://arxiv.org/abs/2206.08957 diff --git a/sesame2spiner/README.md b/sesame2spiner/README.md index 5c198b622d..bb03a2b0d7 100644 --- a/sesame2spiner/README.md +++ b/sesame2spiner/README.md @@ -1,82 +1,12 @@ -# sesame2spiner - -Self-contained tool that uses `EOSPAC` to read `SESAME` tables and convert to Spiner HDF format. - -## Download - -```bash -git clone --recursive git@gitlab.lanl.gov:jonahm/sesame2spiner.git -``` - -## Dependencies - -`sesame2spiner` requires the following header-only libraries, which are provided via `git` submodules: -- [Spiner](https://gitlab.lanl.gov/jonahm/spiner) -- [Catch2](https://github.com/catchorg/Catch2) -- [nlohmann/json](https://github.com/nlohmann/json) - -It also requires the following pre-installed libraries -- [EOSPAC](https://laws.lanl.gov/projects/data/eos/eospacReleases.php) -- [HDF5](https://portal.hdfgroup.org/display/support) - ## Build and install -`sesame2spiner` uses a simple Makefile. Cloning and then typing `make` -will build the binary and run the tests. - -You may need to change include libraries. In particular, you may need -to set the following flags: -- `EOSPAC_INCLUDE`, the `-I` flag for EOSPAC headers -- `EOSPAC_LIB`, the `-L` flag for EOSPAC -- `EOSPAC_LINK`, the `-l` flag for EOSPAC. In particular, you may want to set the `rpath`. -- `CC`, the compiler. You likely want this to be the path to `h5c++` - for `hdf5-serial`. You can also change it to, say, `icc` and simply - point the appropriate include and link flags `INCLUDE_FLAGS`, - `LFLAGS` to your `hdf5` installation. - -Currently there is no `make install`. For now, please just copy the -binary to where you want it. +`sesame2spiner` is built with ``singularity-eos`` +if ``-DSINGULARITY_BUILD_SESAME2SPINER=ON`` is specified at the configure stage. ## Example usage ```bash -jonahm@sn-fey1:$ ./sesame2spiner -h -Usage: ./sesame2spiner[-p] [-h] - - : input file in json format - -p: print metadata associated with materials in parameter file - -h: print this message - -Example JSON file: - -{ - "savename" : "materials.sp5", - "materials" : [ - { // only matid is required. All others override defaults. - "matid" : 5030, - "name" : "air", - "rhomin" : 1e-2, // g/cc - "rhomax" : 10, - "Tmin" : 252, // kelvin - "Tmax" : 1e4, - "siemin" : 1e12, // erg - "siemax" : 1e16 - }, - { - "matid" : 4272, - /* These shrink logarithm of bounds - by a fraction of the total interval <= 1. - */ - "shrinklRhoBounds" : 0.15, - "shrinklTBounds" : 0.15, - "shrinkleBounds" : 0.5 - } - ] -} - - - -jonahm@sn-fey1:$ ./sesame2spiner -p examples/air_and_steel.json +jonahm@sn-fey1:$ ./sesame2spiner -p examples/air.dat examples/steel.dat sesame2spiner ----------------------------------------- Author: Jonah Miller (jonahm@lanl.gov) From 8bfc95561584e8b9729932338ab5593b98b4bbc8 Mon Sep 17 00:00:00 2001 From: Jonah Miller Date: Thu, 7 Jul 2022 15:57:00 -0600 Subject: [PATCH 2/3] changelog --- CHANGELOG.md | 1 + 1 file changed, 1 insertion(+) diff --git a/CHANGELOG.md b/CHANGELOG.md index 29d75ea98e..5cac418371 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -3,6 +3,7 @@ ## Current develop ### Added (new features/APIs/variables/...) +- [[PR150]](https://github.com/lanl/singularity-eos/pull/150) This changelog ### Changed (changing behavior/API/variables/...) - [[PR146]](https://github.com/lanl/singularity-eos/pull/146) Changes needed to cmake to enable spackage upstream From 6e8d272882fb6d6bb6a22be83bfb0a42643aa61c Mon Sep 17 00:00:00 2001 From: Jonah Miller Date: Thu, 7 Jul 2022 15:58:53 -0600 Subject: [PATCH 3/3] copyright notice in changelog --- CHANGELOG.md | 12 ++++++++++++ 1 file changed, 12 insertions(+) diff --git a/CHANGELOG.md b/CHANGELOG.md index 5cac418371..ebc7e76401 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -18,3 +18,15 @@ Date: 07/07/2022 This is the start of changelog + +© 2021-2022. Triad National Security, LLC. All rights reserved. This +program was produced under U.S. Government contract 89233218CNA000001 +for Los Alamos National Laboratory (LANL), which is operated by Triad +National Security, LLC for the U.S. Department of Energy/National +Nuclear Security Administration. All rights in the program are +reserved by Triad National Security, LLC, and the U.S. Department of +Energy/National Nuclear Security Administration. The Government is +granted for itself and others acting on its behalf a nonexclusive, +paid-up, irrevocable worldwide license in this material to reproduce, +prepare derivative works, distribute copies to the public, perform +publicly and display publicly, and to permit others to do so.