✨ Compile time flows and CLI simulation update #349

marcelwa · 2023-12-07T15:20:15Z

Description

This PR introduces new CMake flags to build individual flows of the fiction CLI. Furthermore, it exposes SiDB simulation capabilities via the CLI.

The following CLI commands have been revised:

read now supports the --sqd/-s flag that reads SiQAD design files as SiDB cell-level layouts
print -c now prints SiDB layouts as H-Si lattices
print -c now prints charge states of SiDB layouts if a CDS is available

The following new CLI commands have been introduced:

quicksim to call the QuickSim algorithm
quickexact to call the QuickExact algorithm
temp to call a critical temperature simulation algorithm based on QuickExact
opdom to call an operational domain computation algorithm and write the resulting domain to a CSV file

Checklist:

The pull request only contains commits that are related to it.
I have added appropriate tests and documentation.
I have made sure that all CI jobs on GitHub pass.
The pull request introduces no new warnings and follows the project's style guidelines.

marcelwa · 2023-12-07T15:25:57Z

@Drewniok In this PR, I've started to expose SiDB simulation via the CLI. You can now use read --sqd (or read -s for short) SiQAD files and print them via print -c. Via commands quicksim and quickexact, you can generate a CDS, which you can print via print -c as well.

This is pretty basic as far as SiDB simulation on the command line can go, and there are several aspects and details I would like to discuss with you. Here are some things to ponder for you:

What other SiDB algorithms should we expose?
Right now, only the ground state (I think) is saved, how do we deal with the others?
The QuickExact implementation doesn't actually store its global potential variable to the further simulation parameters. I think it should.
QuickExact seems to store the base number additionally, even though it is included in the sim result object via the physical parameters.
Does QuickSim actually respect a given base number? No, right? In that case, the respective option needs to be removed again from the CLI.

Furthermore TODO:

Add documentation to the CLI chapter in the RTD pages.

Would be cool if you could play around with it such that we can have a discussion soon.

Drewniok · 2023-12-07T15:36:49Z

@marcelwa That's super cool! Thank you! I will address your points as soon as possible.

github-actions

clang-tidy made some suggestions

cli/cmd/io/read.hpp

cli/cmd/simulation/quickexact.hpp

cli/cmd/simulation/quicksim.hpp

include/fiction/technology/charge_distribution_surface.hpp

include/fiction/types.hpp

github-actions

clang-tidy made some suggestions

include/fiction/types.hpp

…th minimum energy from a range

include/fiction/algorithms/simulation/sidb/minimum_energy.hpp

github-actions

clang-tidy made some suggestions

cli/cmd/simulation/quicksim.hpp

include/fiction/algorithms/simulation/sidb/minimum_energy.hpp

…bers:` statement

…tate they found

… an `std::unordered_map`

github-actions

clang-tidy made some suggestions

cli/cmd/simulation/quickexact.hpp

cli/cmd/simulation/quicksim.hpp

include/fiction/technology/charge_distribution_surface.hpp

…commands

…-time-flows

Drewniok · 2023-12-10T16:08:00Z

@Drewniok In this PR, I've started to expose SiDB simulation via the CLI. You can now use read --sqd (or read -s for short) SiQAD files and print them via print -c. Via commands quicksim and quickexact, you can generate a CDS, which you can print via print -c as well.

This is pretty basic as far as SiDB simulation on the command line can go, and there are several aspects and details I would like to discuss with you. Here are some things to ponder for you:
* What other SiDB algorithms should we expose?

* Right now, only the ground state (I think) is saved, how do we deal with the others?

* The QuickExact implementation doesn't actually store its global potential variable to the further simulation parameters. I think it should.

* QuickExact seems to store the base number additionally, even though it is included in the sim result object via the physical parameters.

* Does QuickSim actually respect a given base number? No, right? In that case, the respective option needs to be removed again from the CLI.
Furthermore TODO:
* Add documentation to the CLI chapter in the RTD pages.
Would be cool if you could play around with it such that we can have a discussion soon.

@marcelwa, I have two questions, comments:

Are you referring to the CLI?
The base number stored in the additional parameters is the base number actually used for the simulation. This can be different from the base number set by the physical parameters if automatic base number detection is enabled. But I see the confusion! I will change the naming.

marcelwa · 2023-12-12T15:01:08Z

@marcelwa I think all the above TODOs are done. As discussed, it would be convenient to have the critical temperature and part of the operational domain in the CLI. I can support you there!

Perfect, many thanks! 🙏 I'll come up with something and might ask for your feedback once it's done.

…-time-flows # Conflicts: # cli/cmd/simulation/opdom.hpp

github-actions

clang-tidy made some suggestions

cli/cmd/simulation/opdom.hpp

…temperature_stats`

…e CLI

marcelwa · 2023-12-14T14:32:53Z

@Drewniok this PR is now feature-complete. If you find some time, I would appreciate your input. It's not urgent.

The new CLI commands quickexact, quicksim, temp, and opdom are available.
The CLI commands read and print have been updated to support read --sqd and print -c for CDS.
Furthermore, I made some small changes to critical_temperature and its tests in order to streamline the code.

github-actions

clang-tidy made some suggestions

cli/cmd/simulation/quickexact.hpp

cli/cmd/simulation/quicksim.hpp

include/fiction/algorithms/simulation/sidb/critical_temperature.hpp

Drewniok

Really cool! Many thanks 🙏

marcelwa added 5 commits December 7, 2023 15:45

✨ Added CMake options for select flow compilation

5c94c5a

🎨 Simplified layout printing from store

f7b4cd7

✨ Added SQD reading and CDS printing to the CLI

175d006

✨ Added QuickExact to the CLI

959e0f5

✨ Added QuickSim to the CLI

6aa8a40

marcelwa added enhancement New feature or request cli Concerning the command-line interface (CLI) labels Dec 7, 2023

marcelwa requested a review from Drewniok December 7, 2023 15:20

marcelwa self-assigned this Dec 7, 2023

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🐛 Try to pacify MSVC

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marcelwa added 3 commits December 9, 2023 14:24

🐛 Removed base option for the quicksim CLI command

e80c846

🎨 Adjusted minimum_energy to be more C++-ish

cbc5e0a

✨ Added a minimum_energy_distribution function to obtain the CDS wi…

6511546

…th minimum energy from a range

marcelwa commented Dec 9, 2023

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marcelwa added 5 commits December 9, 2023 19:01

📝 Fixed a wrong header in the documentation and added a missing `:mem…

9a6eb1a

…bers:` statement

🎨 Make the quicksim and quickexact commands pick the minimum energy s…

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…tate they found

🐛 Fixed cyclic dependency

fc0e3e4

💥 Made additional_simulation_parameters in sidb_simulation_result…

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… an `std::unordered_map`

✨ Made the quicksim CLI command log its additional parameters

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marcelwa added 3 commits December 9, 2023 19:30

Merge branch 'main' into compile-time-flows

ec54e2e

✨ Display proper cell type names in the CLI's ps -c and store -c …

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…commands

Merge remote-tracking branch 'origin/compile-time-flows' into compile…

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…-time-flows

✅ update unit tests after code changes.

828d3cf

marcelwa added 11 commits December 12, 2023 16:53

🎨 Cleaned up includes

52b4a39

🔥 Remove base toggle from quickexact and quicksim CLI commands

3ec4190

🎨 Further header include fixes

5519f1f

🎨 Adjustments to logging and [[nodiscard]]

1f02017

✨ Added Operational Domain computation to the CLI

0ef8e89

✨ Added Operational Domain computation to the CLI

3d31d81

📝 Added Operational Domain CLI documentation

bee789c

Merge remote-tracking branch 'origin/compile-time-flows' into compile…

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…-time-flows # Conflicts: # cli/cmd/simulation/opdom.hpp

🐛 Added missing includes to critical_temperature

4e60b69

📝 Small doc fix

965553a

🐛 Added missing includes to quicksim

d64b12a

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marcelwa added 8 commits December 14, 2023 10:36

🐛 Added missing includes to quicksim's tests

2659106

🎨 Code cleanup in critical_temperature

70b57ba

🎨 Added physical parameters used for the simulation to the `critical_…

12c80b0

…temperature_stats`

🐛 Fix logging for quickexact and quicksim CLI commands

51943c4

🐛 Fix opdom error when no PI/PO cells are available

6bf65d3

✨ Added command temp for critical temperature SiDB simulation to th…

50fc863

…e CLI

🎨 Added missing header and std::forward

3a70265

Merge branch 'main' into compile-time-flows

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🐛 fix unit bug.

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marcelwa commented Dec 14, 2023

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Drewniok and others added 2 commits December 14, 2023 21:22

🎨 set description to meV.

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Merge branch 'main' into compile-time-flows

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marcelwa merged commit 2e3446c into main Dec 15, 2023
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marcelwa deleted the compile-time-flows branch December 15, 2023 13:16

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✨ Compile time flows and CLI simulation update #349

✨ Compile time flows and CLI simulation update #349

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✨ Compile time flows and CLI simulation update #349

✨ Compile time flows and CLI simulation update #349

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