Major Cmake / C++ include refactor#191
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Switch every project-local #include "..." to use the path relative to the
repository root, e.g.
#include "src/forcefields/mmff.h"
#include "rdkit_extensions/mmff_flattened_builder.h"
#include "tests/test_utils.h"
Bare neighbor includes ("foo.h"), upward-relative includes ("../foo.h"), and
angle-bracket project-local includes (<foo.h>) are no longer accepted.
Mechanism:
- Add an INTERFACE library nvmolkit_include_root (in the root CMakeLists.txt)
that exports ${PROJECT_SOURCE_DIR} as its include path. A single
link_libraries(nvmolkit_include_root) just before the project subdirectories
applies it to every first-party target.
- Drop the previous per-target target_include_directories(...
${CMAKE_CURRENT_SOURCE_DIR}) and ${PROJECT_SOURCE_DIR}/... entries that
existed only to expose project headers via library include dirs. They are
now redundant.
- Drop a couple of dead include paths (nvmolkit/utils does not exist;
smarts_filter no longer needs ${PROJECT_SOURCE_DIR}/src once the include
rewrite happens).
Add admin/run_include_check.sh + admin/include_check.py to enforce the
policy. Default mode rewrites in place, -d / --check mode reports violations
and exits non-zero. Wired into .github/workflows/lint.yml as a new
include-check job alongside clang-format, cmake-format, and ruff-format.
Configure, build, and ctest pass.
evasnow1992
reviewed
Jun 1, 2026
| ) | ||
| if rewritten is None: | ||
| # Already-correct quoted form, system include, or third-party. | ||
| if close_char == ">" and rewritten is None and reason is None: |
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rewritten is None this line seems to be redundant given it's inside the if block from line 189
evasnow1992
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Jun 1, 2026
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One minor comment. Other changes look good to me. thanks!
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Removed all of our manual in-tree include CMake code. All includes are now relative to the project root, with most of them under
src/.Added a new formatter checker to CI to avoid backslide.