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add integratorxx to buildsys #3041

Merged
merged 5 commits into from Mar 22, 2024
Merged

add integratorxx to buildsys #3041

merged 5 commits into from Mar 22, 2024

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loriab
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@loriab loriab commented Aug 29, 2023

Description

for now must enable with -D ENABLE_IntegratorXX=ON. recc installing catch2 first to avoid downloading each time.

CI will fail because I added a integratorxx header to a file for trial, but haven't enabled the addon in the buildsys everywhere.

User API & Changelog headlines

  • optionally build integratorXX with -D ENABLE_IntegratorXX=ON

Checklist

Status

  • Ready for review
  • Ready for merge

-DCMAKE_CXX_COMPILER=${CMAKE_CXX_COMPILER}
-DCMAKE_INSTALL_LIBDIR=${CMAKE_INSTALL_LIBDIR}
-DCMAKE_INSTALL_INCLUDEDIR=${CMAKE_INSTALL_INCLUDEDIR}
-DCMAKE_CXX_STANDARD=${psi4_CXX_STANDARD}

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@loriab FWIW - I don't respect this flag in IntegratorXX - it's a C++17 library, you could conceivably compile with 20 / 2b, but definitely not with 14. Would you prefer that I have a check on my end if you're requesting < 17 and bail? Or should ENABLE_IntegratorXX be contingent on 17+?

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all of Psi4 is 17, so in practice it's not an issue?

(only reason parts of psi could be 14 is if someone needed to use a ~3yo icpc with Libint2.)

@loriab
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loriab commented Nov 13, 2023

After #3021, I'll fix this up as a dummy module like #3050, so it's ready for use.

@loriab loriab added this to the Psi4 1.9 milestone Nov 13, 2023
@loriab loriab modified the milestones: Psi4 1.9, Psi4 1.10 Dec 7, 2023
@davpoolechem davpoolechem added this pull request to the merge queue Mar 22, 2024
Merged via the queue into psi4:master with commit c3acbd8 Mar 22, 2024
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@loriab loriab deleted the intxx branch April 8, 2024 18:27
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4 participants