Add mass fraction multi-phase table to sesame2spiner by adamdempsey90 · Pull Request #600 · lanl/singularity-eos

adamdempsey90 · 2026-01-12T20:41:09Z

PR Summary

This adds the mass fraction SESAME table to the spiner tables that sesame2spiner outputs (if it exists). Tested in a downstream code.

Putting this up now for an initial review.

I still need to add the mass fractions to the spiner EOS class. Are we okay with adding new MassFractionFromDensityTemperature functions to all EOS classes?

Still TODO:

Add this field to the spiner EOS
Some sort of test

PR Checklist

Adds a test for any bugs fixed. Adds tests for new features.
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.
LANL employees: make sure tests pass both on the github CI and on the Darwin CI

If preparing for a new release, in addition please check the following:

Update the version in cmake.
Move the changes in the CHANGELOG.md file under a new header for the new release, and reset the categories.
Maintainers: ensure spackages are up to date:
- LANL-internal team, update XCAP spackages
- Current maintainer of upstream spackages, submit MR to spack

sesame2spiner/io_eospac.cpp

Yurlungur

Nice! Glad it was a simple change. Regarding adding mass fractions to every EOS class... Broadly I'd be supportive of this, if we had an error message/stub in the base class as the default behavior. Clearly mass fractions aren't sensible for all EOS's but they are for enough EOS's we might want this.

sesame2spiner/io_eospac.cpp

adamdempsey90 · 2026-01-12T21:33:29Z

Nice! Glad it was a simple change. Regarding adding mass fractions to every EOS class... Broadly I'd be supportive of this, if we had an error message/stub in the base class as the default behavior. Clearly mass fractions aren't sensible for all EOS's but they are for enough EOS's we might want this.

It looks like the StellarCollapse EOS already has MassFractionsFromDensityTemperature

Yurlungur · 2026-01-12T22:57:21Z

Nice! Glad it was a simple change. Regarding adding mass fractions to every EOS class... Broadly I'd be supportive of this, if we had an error message/stub in the base class as the default behavior. Clearly mass fractions aren't sensible for all EOS's but they are for enough EOS's we might want this.

It looks like the StellarCollapse EOS already has MassFractionsFromDensityTemperature

I believe Helmholtz does too... or if it doesn't, it could be exposed.

…ssFraction and fill the string rather than the other way around

…d use the generic functions to do it

sesame2spiner/io_eospac.cpp

…lease enter a commit message to explain why this merge is necessary,

adamdempsey90 · 2026-02-24T21:53:16Z

Updated to include the mass fraction query in the spiner EOS object. The unit test I added passes on my CPU machine, but not sure about the GPU machines (mostly the EOSPAC paths...)

Yurlungur · 2026-02-24T22:30:35Z

Would you like me to do review now? I could also maybe get eospac paths working through the CI?

adamdempsey90 · 2026-02-24T23:12:57Z

Would you like me to do review now? I could also maybe get eospac paths working through the CI?

yes please.

singularity-eos/eos/eos_spiner_rho_sie.hpp

Yurlungur

@adamdempsey90 sorry for the delay. Some comments below. Did you want to mess with the paths yourself or did you want me to look at that? I'm happy to poke at it. Should have some time to do so tomorrow.

Yurlungur · 2026-02-24T23:14:14Z

.gitlab/build_and_test.sh

  source ${BUILD_ENV}
  pushd ${BUILD_DIR}
  if [[ -f ./sesame2spiner/sesame2spiner ]]; then
+  echo "/usr/projects/data/eos/eos-developmental/Sn2162/v01/sn2162-v01.bin" > sesameFilesDir.txt


I think this actually probably is sufficient to getting the paths to work on device.

Yeah, the gpu tests are working. Although this path shouldn't be correct for LLNL, so I don't know about that

Ah. We may need a general solution for that. Probably the same problem will show up for the KPT tests. My suggestion is that we set these paths as environment variables in re-git then they can be automatically slurped up here. But before we go down that path... let's ping Richard.

@rbberger what are your thoughts?

We could also have some project level env script that gets loaded by the CI and sets those paths

eospac-wrapper/eospac_wrapper.cpp

sesame2spiner/io_eospac.hpp

sesame2spiner/io_eospac.cpp

singularity-eos/eos/eos_spiner_rho_sie.hpp

singularity-eos/eos/eos_spiner_common.hpp

…x w.r.t. dynamic memory handling.

Yurlungur

New changes for phase names looks good. It does occur to me that there is one slightly more evil way of cleaning this up. DataBox supports arithmetic types, of which char is one. So you could make the phase names a DataBox<char>. Then to treat it as a string, when desired, use DataBox::data. Then you can just register it with the databox names vec and it should (I think?) be serialized, moved to device, etc., all automatically.

That said, your updated handling seems perfectly good to me. Thanks for iterating on it!

singularity-eos/eos/eos_spiner_common.hpp

singularity-eos/eos/eos_spiner_rho_sie.hpp

adamdempsey90

I think this is all set on my end. Once #606 passes the tests, we can merge.

sesame2spiner/io_eospac.cpp

singularity-eos/eos/eos_spiner_rho_sie.hpp

singularity-eos/eos/eos_spiner_common.hpp

…jmm/mass_frac

…_frac

Jmm/mass frac

adamdempsey90 · 2026-03-04T14:40:13Z

All tests are passing. I think this is ready to go @Yurlungur

Yurlungur · 2026-03-04T14:41:08Z

Great! Let's get this in.

Add mass fraction table to sesame2spiner

6829cde

adamdempsey90 requested review from Yurlungur, buechlerm and jhp-lanl January 12, 2026 20:41

adamdempsey90 self-assigned this Jan 12, 2026

adamdempsey90 marked this pull request as draft January 12, 2026 20:41

jhp-lanl reviewed Jan 12, 2026

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sesame2spiner/io_eospac.cpp Outdated Show resolved Hide resolved

Yurlungur reviewed Jan 12, 2026

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sesame2spiner/io_eospac.cpp Outdated Show resolved Hide resolved

adamdempsey90 added 2 commits January 15, 2026 08:42

Add table existence check to eospac_wrapper. Return a bool from eosMa…

909776e

…ssFraction and fill the string rather than the other way around

Move getting of phase names and number of phases to eospac_wrapper an…

a8a9804

…d use the generic functions to do it

adamdempsey90 commented Jan 15, 2026

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sesame2spiner/io_eospac.cpp Show resolved Hide resolved

adamdempsey90 added 5 commits February 11, 2026 06:41

Merge remote-tracking branch 'origin/main' into dempsey/mass_frac

698b245

Merge remote-tracking branch 'origin/main' into dempsey/mass_frac # P…

1fddda8

…lease enter a commit message to explain why this merge is necessary,

safe hdf5 string read

afdb537

Add MassFractionsFromDensity* to spiner eos

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Add multiphase spiner unit test for tin

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adamdempsey90 marked this pull request as ready for review February 24, 2026 21:53

adamdempsey90 added 2 commits February 24, 2026 14:58

void function

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Format

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adamdempsey90 commented Feb 24, 2026

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adamdempsey90 added 3 commits February 24, 2026 17:25

semicolon after fence;

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remove unused

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Properly use host/device eos

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Yurlungur reviewed Feb 25, 2026

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Add some todos

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phase_names is not an allocated string. Treated in same way as DataBo…

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…x w.r.t. dynamic memory handling.

Yurlungur reviewed Mar 2, 2026

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jonahm-LANL and others added 4 commits March 1, 2026 23:21

merge

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return the allocated string and use malloc/free

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Oops

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Make sure to always return something

83aa198

adamdempsey90 commented Mar 2, 2026

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sesame2spiner/io_eospac.cpp Show resolved Hide resolved

singularity-eos/eos/eos_spiner_rho_sie.hpp Show resolved Hide resolved

singularity-eos/eos/eos_spiner_common.hpp Outdated Show resolved Hide resolved

buechlerm approved these changes Mar 2, 2026

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jonahm-LANL and others added 18 commits March 2, 2026 11:38

fix test and add portable inline function declaration

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Merge branch 'dempsey/mass_frac' into jmm/mass_frac

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come on... stupid namespace alias

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Merge branch 'jmm/mass_frac' of github.com:lanl/singularity-eos into …

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…jmm/mass_frac

oops . -> ::

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debug

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oops ordering

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more debugging

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wrong function...

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OOH its the other test

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merge main

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Merge remote-tracking branch 'origin/main' into dempsey/mass_frac

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Create sesameFilesDirs.txt before running sesame2spiner

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Merge remote-tracking branch 'origin/dempsey/mass_frac' into jmm/mass…

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…_frac

Changelog for mass fractions

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Merge pull request #606 from lanl/jmm/mass_frac

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Jmm/mass frac

format

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Merge remote-tracking branch 'origin/main' into dempsey/mass_frac

3b5bc93

Yurlungur merged commit facbc40 into main Mar 4, 2026
9 checks passed

Yurlungur deleted the dempsey/mass_frac branch March 4, 2026 14:41

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adamdempsey90 commented Jan 12, 2026 •

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