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changelog and cleanup #150

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1 change: 1 addition & 0 deletions .github/PULL_REQUEST_TEMPLATE.md
Original file line number Diff line number Diff line change
Expand Up @@ -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
32 changes: 32 additions & 0 deletions CHANGELOG.md
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@@ -0,0 +1,32 @@
# Changelog

## 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

### 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

© 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.
2 changes: 1 addition & 1 deletion doc/sphinx/index.rst
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Expand Up @@ -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
==================
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16 changes: 8 additions & 8 deletions doc/sphinx/src/contributing.rst
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Expand Up @@ -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
Expand Down Expand Up @@ -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
````````````````````````````````````````````````

Expand Down Expand Up @@ -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
76 changes: 3 additions & 73 deletions sesame2spiner/README.md
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@@ -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 [email protected]: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] <parameter file>

<parameter file>: 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 ([email protected])
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