Apg/sap integration

[annapiegra]

PR Summary

Creates a new f90-interface needed for the Pagosa integration.

-Adds eos_setOptions
-Decouples eospac preinversion and insert data
-Uses a single step instead of two to get sesame P from D+Ut

TODO: docs, tests, fix properly singularity_eos.f90 spiner deps...

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
• If preparing for a new release, update the version in cmake.

[jhp-lanl]

@annapiegra I fixed a couple errors that were breaking the build. I also added the MinInternalEnergyFromDensity() function to the scratch buffer size querrying mechanism. Currently I'm assuming EOSPAC either won't write to the second derivative array (dFy in EOSPAC parlance) or that because we don't care about that value, nothing nasty will happen when it does. Feel free to add another scratch buffer if you think that's going to be an issue.

[annapiegra]

Thanks. Since it’s a 1d function dFy shouldn’t matter. Also we don’t use the derivatives so we should be good on that front too.I’ll verify later this week. What compiler were you using? I’ve only tested with the intel compiler used by sap. Sent with BlackBerry Work (www.blackberry.com) From: Jeff Peterson ***@***.******@***.***>> Date: Tuesday, Jul 25, 2023 at 8:41 PM To: lanl/singularity-eos ***@***.******@***.***>> Cc: Pietarila Graham, Anna Mataleena ***@***.******@***.***>>, Mention ***@***.******@***.***>> Subject: [EXTERNAL] Re: [lanl/singularity-eos] Apg/sap integration (PR #278) @annapiegra<https://urldefense.com/v3/__https://github.com/annapiegra__;!!Bt8fGhp8LhKGRg!FyhuaD2hC3HpePc4nPXZnp4_hKXTt7A0ArtoSCtcAFKj4jw-LI02krJqVh9TevMmKv24Pi7JVIRigWte8djEk7o$> I fixed a couple errors that were breaking the build. I also added the MinInternalEnergyFromDensity() function to the scratch buffer size querrying mechanism. Currently I'm assuming EOSPAC either won't write to the second derivative array (dFy in EOSPAC parlance) or that because we don't care about that value, nothing nasty will happen when it does. Feel free to add another scratch buffer if you think that's going to be an issue. — Reply to this email directly, view it on GitHub<https://urldefense.com/v3/__https://github.com/lanl/singularity-eos/pull/278*issuecomment-1650887339__;Iw!!Bt8fGhp8LhKGRg!FyhuaD2hC3HpePc4nPXZnp4_hKXTt7A0ArtoSCtcAFKj4jw-LI02krJqVh9TevMmKv24Pi7JVIRigWteZGfjAcs$>, or unsubscribe<https://urldefense.com/v3/__https://github.com/notifications/unsubscribe-auth/AU36G6NESBIYL7RNPHKZZEDXSB7UZANCNFSM6AAAAAA2XHAN7I__;!!Bt8fGhp8LhKGRg!FyhuaD2hC3HpePc4nPXZnp4_hKXTt7A0ArtoSCtcAFKj4jw-LI02krJqVh9TevMmKv24Pi7JVIRigWteq_6fT6w$>. You are receiving this because you were mentioned.Message ID: ***@***.***>

[Yurlungur]

Overall this seems reasonable to me. I'd like Richard's eyes on the EOSPAC stuff and I would also like to make sure all the PR checklist boxes are checked. But barring that, I approve. A few nitpicks below.

[jhp-lanl]

@cmauney @Yurlungur @dholladay00 @rbberger can I interpret your silence for approval?

EDIT - @Yurlungur already approved

[rbberger]

Overall looks good to me. Just some minor things I found.

[jhp-lanl]

Tests pass on gitlab as well as github. Merging.