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modularization #477

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91c22f6
dox typos
evaleev Feb 3, 2026
80a8e9f
start of the saga: avoid needless structured binding capture by a lambda
evaleev Feb 3, 2026
48abc30
modularization of SeQuant to get rid of unnecessary dependence of con…
evaleev Feb 3, 2026
48420ff
[cmake] PR 477 1st round review changes:
evaleev Feb 5, 2026
c3e7dbe
assert_failed + abort_msg moved to macros.cpp
evaleev Feb 5, 2026
f7db504
default_context_manipulation_threadsafe moved to context.cpp, no long…
evaleev Feb 5, 2026
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345 changes: 232 additions & 113 deletions CMakeLists.txt
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8 changes: 8 additions & 0 deletions SeQuant/core/context.cpp
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Expand Up @@ -8,6 +8,14 @@

namespace sequant {

bool default_context_manipulation_threadsafe() {
#ifdef SEQUANT_CONTEXT_MANIPULATION_THREADSAFE
return true;
#else
return false;
#endif
}

bool operator==(const Context& ctx1, const Context& ctx2) {
if (&ctx1 == &ctx2)
return true;
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8 changes: 1 addition & 7 deletions SeQuant/core/context.hpp
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Expand Up @@ -222,13 +222,7 @@ bool operator!=(const Context& ctx1, const Context& ctx2);
/// @{

/// \return whether context manipulation functions are thread-safe
inline constexpr bool default_context_manipulation_threadsafe() {
#ifdef SEQUANT_CONTEXT_MANIPULATION_THREADSAFE
return true;
#else
return false;
#endif
}
bool default_context_manipulation_threadsafe();

/// @brief access default Context for the given Statistics
/// @param s Statistics
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6 changes: 3 additions & 3 deletions SeQuant/core/optimize.hpp → SeQuant/core/eval/optimize.hpp
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Expand Up @@ -388,7 +388,7 @@ ExprPtr optimize(ExprPtr const& expr, IdxToSize const& idx2size,
} // namespace opt

///
/// Optimize the expression using IndexSpace::aproximate_size() for reference
/// Optimize the expression using IndexSpace::approximate_size() for reference
/// index extent.
///
/// \param expr Expression to be optimized.
Expand All @@ -398,7 +398,7 @@ ExprPtr optimize(ExprPtr const& expr, IdxToSize const& idx2size,
/// \return Optimized expression for lower evaluation cost.
ExprPtr optimize(ExprPtr const& expr, bool reorder_sum = true);

/// Optimize the expression using IndexSpace::aproximate_size() for reference
/// Optimize the expression using IndexSpace::approximate_size() for reference
/// index extent.
///
/// \param expr Expression to be optimized.
Expand All @@ -408,7 +408,7 @@ ExprPtr optimize(ExprPtr const& expr, bool reorder_sum = true);
/// \return Optimized expression for lower evaluation cost.
ResultExpr& optimize(ResultExpr& expr, bool reorder_sum = true);

/// Optimize the expression using IndexSpace::aproximate_size() for reference
/// Optimize the expression using IndexSpace::approximate_size() for reference
/// index extent.
///
/// \param expr Expression to be optimized.
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0 ...mize/common_subexpression_elimination.hpp → ...mize/common_subexpression_elimination.hpp
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2 changes: 1 addition & 1 deletion SeQuant/core/optimize/fusion.cpp → SeQuant/core/eval/optimize/fusion.cpp
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@@ -1,4 +1,4 @@
#include <SeQuant/core/optimize/fusion.hpp>
#include <SeQuant/core/eval/optimize/fusion.hpp>

#include <SeQuant/core/complex.hpp>
#include <SeQuant/core/container.hpp>
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0 SeQuant/core/optimize/fusion.hpp → SeQuant/core/eval/optimize/fusion.hpp
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3 changes: 1 addition & 2 deletions SeQuant/core/optimize/optimize.cpp → SeQuant/core/eval/optimize/optimize.cpp
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Expand Up @@ -2,10 +2,9 @@
#include <SeQuant/core/complex.hpp>
#include <SeQuant/core/container.hpp>
#include <SeQuant/core/eval/eval_expr.hpp>
#include <SeQuant/core/eval/eval_node.hpp>
#include <SeQuant/core/eval/optimize.hpp>
#include <SeQuant/core/expr.hpp>
#include <SeQuant/core/hash.hpp>
#include <SeQuant/core/optimize.hpp>
#include <SeQuant/core/utility/indices.hpp>
#include <SeQuant/core/utility/macros.hpp>

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1 change: 0 additions & 1 deletion SeQuant/core/expressions/result_expr.cpp
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@@ -1,7 +1,6 @@
#include <SeQuant/core/expressions/result_expr.hpp>
#include <SeQuant/core/expressions/tensor.hpp>
#include <SeQuant/core/expressions/variable.hpp>
#include <SeQuant/core/optimize.hpp>
#include <SeQuant/core/utility/indices.hpp>

namespace sequant {
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43 changes: 43 additions & 0 deletions SeQuant/core/utility/macros.cpp
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@@ -0,0 +1,43 @@
//
// Created by Eduard Valeyev on 7/31/23
//

#include <SeQuant/core/utility/macros.hpp>

#include <cstdlib>
#include <iostream>
#include <sstream>

#define SEQUANT_ASSERT_BEHAVIOR \
SEQUANT_CONCAT(SEQUANT_ASSERT_, SEQUANT_ASSERT_BEHAVIOR_)

namespace sequant {

#ifdef SEQUANT_ASSERT_ENABLED
void assert_failed(const std::string &errmsg,
const std::source_location location) {
#if SEQUANT_ASSERT_BEHAVIOR == SEQUANT_ASSERT_THROW
std::ostringstream oss;
oss << errmsg << " at " << location.file_name() << ":" << location.line()
<< " in function '" << location.function_name() << "'";
throw sequant::Exception(oss.str());
#elif SEQUANT_ASSERT_BEHAVIOR == SEQUANT_ASSERT_ABORT
std::cerr << errmsg << " at " << location.file_name() << ":"
<< location.line() << " in function '" << location.function_name()
<< "'" << std::endl;
std::abort();
#endif
}
#else
void assert_failed(const std::string &, const std::source_location) {}
#endif

[[noreturn]] void abort_msg(const std::string &errmsg,
const std::source_location location) {
std::cerr << errmsg << " at " << location.file_name() << ":"
<< location.line() << " in function '" << location.function_name()
<< "'";
std::abort();
}

} // namespace sequant
42 changes: 6 additions & 36 deletions SeQuant/core/utility/macros.hpp
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Expand Up @@ -8,10 +8,8 @@
#include <SeQuant/core/utility/exception.hpp>

#include <cstdlib>
#include <iostream>
#include <source_location>
#include <sstream>
#include <utility>
#include <string>

/* detect C++ compiler id:
- ids taken from CMake
Expand Down Expand Up @@ -71,38 +69,15 @@
#define SEQUANT_ASSERT_ABORT 3
#define SEQUANT_ASSERT_IGNORE 4
#define SEQUANT_STRINGIFY(x) #x
#define SEQUANT_ASSERT_BEHAVIOR \
SEQUANT_CONCAT(SEQUANT_ASSERT_, SEQUANT_ASSERT_BEHAVIOR_)
#if SEQUANT_ASSERT_BEHAVIOR != SEQUANT_ASSERT_IGNORE
#define SEQUANT_ASSERT_ENABLED
#endif

namespace sequant {

#ifdef SEQUANT_ASSERT_ENABLED
[[noreturn]]
#endif
inline void
assert_failed([[maybe_unused]] const std::string &errmsg,
[[maybe_unused]] const std::source_location location =
std::source_location::current()) {
#ifdef SEQUANT_ASSERT_ENABLED
#if SEQUANT_ASSERT_BEHAVIOR == SEQUANT_ASSERT_THROW
std::ostringstream oss;
oss
#elif SEQUANT_ASSERT_BEHAVIOR == SEQUANT_ASSERT_ABORT
std::cerr
#endif // SEQUANT_ASSERT_BEHAVIOR
<< errmsg << " at " << location.file_name() << ":" << location.line()
<< " in function '" << location.function_name() << "'";
#if SEQUANT_ASSERT_BEHAVIOR == SEQUANT_ASSERT_THROW
throw sequant::Exception(oss.str());
#elif SEQUANT_ASSERT_BEHAVIOR == SEQUANT_ASSERT_ABORT
std::cerr << std::endl;
std::abort();
#endif // SEQUANT_ASSERT_BEHAVIOR
#endif // SEQUANT_ASSERT_ENABLED
}
void assert_failed(
const std::string &errmsg,
std::source_location location = std::source_location::current());
} // namespace sequant

#ifdef SEQUANT_ASSERT_ENABLED
Expand All @@ -123,14 +98,9 @@ assert_failed([[maybe_unused]] const std::string &errmsg,
#endif

namespace sequant {
[[noreturn]] inline void abort_msg(
[[noreturn]] void abort_msg(
const std::string &errmsg,
const std::source_location location = std::source_location::current()) {
std::cerr << errmsg << " at " << location.file_name() << ":"
<< location.line() << " in function '" << location.function_name()
<< "'";
std::abort();
}
std::source_location location = std::source_location::current());
} // namespace sequant

#define SEQUANT_ABORT(msg) sequant::abort_msg(msg)
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2 changes: 1 addition & 1 deletion SeQuant/domain/mbpt/spin.cpp
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Expand Up @@ -3,9 +3,9 @@

#include <SeQuant/core/algorithm.hpp>
#include <SeQuant/core/attr.hpp>
#include <SeQuant/core/eval/optimize.hpp>
#include <SeQuant/core/expr.hpp>
#include <SeQuant/core/math.hpp>
#include <SeQuant/core/optimize.hpp>
#include <SeQuant/core/rational.hpp>
#include <SeQuant/core/reserved.hpp>
#include <SeQuant/core/space.hpp>
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22 changes: 19 additions & 3 deletions cmake/sequant-config.cmake.in
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Expand Up @@ -7,7 +7,13 @@
#
# and the following imported targets
#
# SeQuant::SeQuant - the SeQuant library
# SeQuant::SeQuant - umbrella SeQuant target (links all modules)
# SeQuant::symb - symbolic core
# SeQuant::eval - evaluation framework
# SeQuant::optimize - expression optimization (STO, CSE, fusion)
# SeQuant::export - code generation/export
# SeQuant::core - version info + symb + eval + export
# SeQuant::mbpt - MBPT domain code
#

# Set package version
Expand Down Expand Up @@ -72,9 +78,19 @@ endif (NOT TARGET Threads::Threads)
# Include library IMPORT targets
if(NOT TARGET SeQuant::SeQuant)
include("${CMAKE_CURRENT_LIST_DIR}/sequant-targets.cmake")
if(NOT TARGET SeQuant::SeQuant)
message(FATAL_ERROR "expected SeQuant::SeQuant among imported SeQuant targets")
# Verify expected targets exist
set(grandTargetList symb eval optimize export core mbpt SeQuant)
if (SEQUANT_HAS_TILEDARRAY)
list(APPEND grandTargetList eval::ta)
endif()
if (SEQUANT_HAS_BTAS)
list(APPEND grandTargetList eval::btas)
endif()
foreach(_target ${grandTargetList})
if(NOT TARGET SeQuant::${_target})
message(FATAL_ERROR "expected SeQuant::${_target} among imported SeQuant targets")
endif()
endforeach()
endif()

set(SEQUANT_FOUND TRUE)
2 changes: 1 addition & 1 deletion doc/user/guide/operator.rst
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Expand Up @@ -47,7 +47,7 @@ only the non-zero contributions.

``mbpt::Operator`` is constructed from 3 callables (e.g., lambdas):

- ``void -> std::wstring_view``: returns the operator label such as "T" or "Λ"
- ``void -> std::wstring_view``: returns the operator label such as "t" or "λ"
- ``void -> ExptPtr``: returns the tensor form of the operator, and
- ``QuantumNumberChange<>& -> void``: encodes the action on the given input state by mutating its quantum numbers given as the argument to the lambda.

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2 changes: 1 addition & 1 deletion tests/integration/eval/calc_info.hpp
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Expand Up @@ -11,7 +11,7 @@
#include <SeQuant/core/container.hpp>
#include <SeQuant/core/eval/cache_manager.hpp>
#include <SeQuant/core/eval/eval_expr.hpp>
#include <SeQuant/core/optimize.hpp>
#include <SeQuant/core/eval/optimize.hpp>
#include <SeQuant/core/utility/macros.hpp>
#include <SeQuant/domain/mbpt/spin.hpp>

Expand Down
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