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[export] minimal numpy support #429

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Merged
evaleev merged 41 commits into from
Nov 29, 2025
Merged

[export] minimal numpy support #429

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7a42611
allow use of arithmetic constants alongside expressions in products e…
evaleev Nov 21, 2025
8a8c94f
preliminary implementation of PythonEinsumGenerator
evaleev Nov 21, 2025
72504a8
added 1 einsum ref output
evaleev Nov 21, 2025
66dac48
port over scope_exit wrapper from mpqc
evaleev Nov 21, 2025
5af85f1
test_export: Implement RAII cleanup for temporary test directories
evaleev Nov 21, 2025
75213c9
test_export_python.cpp: Fix command injection vulnerability
evaleev Nov 21, 2025
54556c0
PythonEinsumGenerator: index mapping does not use global state any lo…
evaleev Nov 21, 2025
eb8637b
Initial plan
Copilot Nov 21, 2025
9deec68
port over scope_exit wrapper from mpqc
evaleev Nov 21, 2025
785edeb
test_export: Implement RAII cleanup for temporary test directories
evaleev Nov 21, 2025
ec5ca90
test_export_python.cpp: Fix command injection vulnerability
evaleev Nov 21, 2025
1f3c2e6
PythonEinsumGenerator: index mapping does not use global state any lo…
evaleev Nov 21, 2025
cbe70f5
Apply suggestions from code review
evaleev Nov 21, 2025
2702b2c
Merge branch 'feature/export-numpy' into copilot/sub-pr-429
evaleev Nov 21, 2025
f3113a9
Fix shell escaping vulnerability in test_export_python.cpp
Copilot Nov 21, 2025
b11a07b
Apply suggestions from code review
evaleev Nov 21, 2025
0e11d25
Update progress - code review passed
Copilot Nov 21, 2025
0d16763
Remove CodeQL build artifacts and update .gitignore
Copilot Nov 21, 2025
13c0c70
Merge branch 'feature/export-numpy' into copilot/sub-pr-429
evaleev Nov 21, 2025
afa16eb
Merge pull request #430 from ValeevGroup/copilot/sub-pr-429
evaleev Nov 21, 2025
6ab03ed
Update tests/unit/test_export_python.cpp
evaleev Nov 22, 2025
94ccc45
introduced sequant::printf
evaleev Nov 21, 2025
580278c
Apply suggestions from code review
evaleev Nov 22, 2025
8b36281
switch to actions/setup-python
evaleev Nov 23, 2025
32d3367
[dox] fixup
evaleev Nov 23, 2025
05d149f
sequant::wprintf fixup format string
evaleev Nov 23, 2025
e66f924
Merge branch 'master' into feature/export-numpy
evaleev Nov 27, 2025
d33818b
[export] python tensor names are annotated by space tags, just like o…
evaleev Nov 27, 2025
142bb86
[export/python] validate ternary contraction, both source code and nu…
evaleev Nov 27, 2025
663b35c
[export/python] validate tensor + tensor*tensor expression, both sour…
evaleev Nov 28, 2025
dc3cf69
[export/python] added reference code to named_expression_group
evaleev Nov 28, 2025
7cc9c3a
[export/python] adjust sanitize_python_name to deal with wide chars
evaleev Nov 28, 2025
9cd18e9
[export/python] remove files in destroy
evaleev Nov 28, 2025
113ce2f
[export/python] preserve the case when mapping Index to einsum index
evaleev Nov 28, 2025
d768e3c
[export/python] redesign generator/context hierarchy along the lines …
evaleev Nov 28, 2025
cea5f55
[export/python] (optionally, on by detail) import modules at the begi…
evaleev Nov 28, 2025
f7f2b53
[export] unname unused vars instead of (void)
evaleev Nov 28, 2025
b2394ce
[export/python] make layout (row vs col) configurable
evaleev Nov 28, 2025
c0a1fa2
[export/python] fixup + validate torch unit tests
evaleev Nov 29, 2025
7901dcc
[ci] free up disk space on ubuntu runners to be able to afford PyTorc…
evaleev Nov 29, 2025
12d5788
[skip ci] cleanup
evaleev Nov 29, 2025
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4 changes: 2 additions & 2 deletions .github/workflows/cmake.yml
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Expand Up @@ -79,13 +79,13 @@ jobs:

- name: Install prerequisite MacOS packages
if: ${{ startswith(matrix.os, 'macos') }}
run: brew install boost eigen open-mpi ccache
run: brew install boost eigen open-mpi ccache numpy

- name: Install prerequisites Ubuntu packages
if: ${{ matrix.os == 'ubuntu-24.04' }}
run: |
sudo apt-get update
sudo apt-get install ninja-build g++-14 liblapack-dev libboost-dev libboost-locale-dev libboost-random-dev libboost-regex-dev libeigen3-dev openmpi-bin libopenmpi-dev ccache valgrind catch2
sudo apt-get install ninja-build g++-14 liblapack-dev libboost-dev libboost-locale-dev libboost-random-dev libboost-regex-dev libeigen3-dev openmpi-bin libopenmpi-dev ccache valgrind catch2 python3-numpy
- name: Prepare ccache timestamp
id: ccache_cache_timestamp
shell: bash
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2 changes: 2 additions & 0 deletions .gitignore
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Expand Up @@ -65,6 +65,8 @@ _deps
# End of https://www.gitignore.io/api/cmake
# build directory
build
_codeql_build_dir
_codeql_detected_source_root

.clangd
.vscode
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1 change: 1 addition & 0 deletions CMakeLists.txt
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Expand Up @@ -350,6 +350,7 @@ set(SeQuant_src
SeQuant/core/utility/macros.hpp
SeQuant/core/utility/nodiscard.hpp
SeQuant/core/utility/permutation.hpp
SeQuant/core/utility/scope.hpp
SeQuant/core/utility/singleton.hpp
SeQuant/core/utility/string.cpp
SeQuant/core/utility/string.hpp
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