Package: rdkit / 202503.6-2

Metadata

Package Version Patches format
rdkit 202503.6-2 3.0 (quilt)

Patch series

view the series file
Patch File delta Description
NoDownloads.patch | (download)

Code/GraphMol/MolInterchange/CMakeLists.txt | 19 0 + 19 - 0 !
Code/cmake/Modules/RDKitUtils.cmake | 1 1 + 0 - 0 !
External/CoordGen/CMakeLists.txt | 29 0 + 29 - 0 !
3 files changed, 1 insertion(+), 48 deletions(-)

---
postgres_Makefile_fixes.patch | (download)

Code/PgSQL/rdkit/Makefile | 35 24 + 11 - 0 !
1 file changed, 24 insertions(+), 11 deletions(-)

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sphinx_imgconverter.patch | (download)

Docs/Book/conf.py | 3 2 + 1 - 0 !
1 file changed, 2 insertions(+), 1 deletion(-)

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postgres_alternative_test_outputs.patch | (download)

Code/PgSQL/rdkit/expected/bfpgin_1.out | 111 111 + 0 - 0 !
Code/PgSQL/rdkit/expected/bfpgist-91_1.out | 121 121 + 0 - 0 !
Code/PgSQL/rdkit/expected/fps_1.out | 270 270 + 0 - 0 !
Code/PgSQL/rdkit/expected/props_1.out | 479 479 + 0 - 0 !
Code/PgSQL/rdkit/expected/rdkit-91_1.out | 878 878 + 0 - 0 !
Code/PgSQL/rdkit/expected/reaction_1.out | 963 963 + 0 - 0 !
Code/PgSQL/rdkit/expected/sfpgist_1.out | 89 89 + 0 - 0 !
Code/PgSQL/rdkit/expected/slfpgist_1.out | 89 89 + 0 - 0 !
8 files changed, 3000 insertions(+)

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sphinx_compile_fixes.patch | (download)

Docs/Book/GettingStartedInPython.rst | 2 1 + 1 - 0 !
Docs/Book/Install.md | 4 2 + 2 - 0 !
2 files changed, 3 insertions(+), 3 deletions(-)

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extra_float_digits | (download)

Code/PgSQL/rdkit/expected/bfpgin.out | 1 1 + 0 - 0 !
Code/PgSQL/rdkit/sql/bfpgin.sql | 1 1 + 0 - 0 !
2 files changed, 2 insertions(+)

---
postgres_cmakelists_fixes.patch | (download)

Code/PgSQL/rdkit/CMakeLists.txt | 9 9 + 0 - 0 !
1 file changed, 9 insertions(+)

---
disable_pgsql_test.patch | (download)

Code/PgSQL/rdkit/CMakeLists.txt | 2 1 + 1 - 0 !
1 file changed, 1 insertion(+), 1 deletion(-)

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fix_inchi_linking.patch | (download)

External/INCHI-API/CMakeLists.txt | 2 1 + 1 - 0 !
External/INCHI-API/inchi.cpp | 3 1 + 2 - 0 !
2 files changed, 2 insertions(+), 3 deletions(-)

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disable_inchi_test.patch | (download)

External/INCHI-API/CMakeLists.txt | 4 0 + 4 - 0 !
1 file changed, 4 deletions(-)

 disable inchi test, which times out
disable_python_test.patch | (download)

rdkit/CMakeLists.txt | 3 2 + 1 - 0 !
1 file changed, 2 insertions(+), 1 deletion(-)

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disable_riscv64_timeout_tests.patch | (download)

Code/GraphMol/CMakeLists.txt | 5 3 + 2 - 0 !
Code/GraphMol/SynthonSpaceSearch/CMakeLists.txt | 5 3 + 2 - 0 !
Code/GraphMol/SynthonSpaceSearch/Wrap/CMakeLists.txt | 3 2 + 1 - 0 !
3 files changed, 8 insertions(+), 5 deletions(-)

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better_enums.patch | (download)

CMakeLists.txt | 9 0 + 9 - 0 !
Code/RDGeneral/CMakeLists.txt | 5 0 + 5 - 0 !
Code/RDGeneral/enum.h | 1326 1326 + 0 - 0 !
3 files changed, 1326 insertions(+), 14 deletions(-)

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fix shebangs.patch | (download)

Contrib/M_Kossner/Frames.py | 2 1 + 1 - 0 !
Contrib/SA_Score/build_sascore_db.py | 2 1 + 1 - 0 !
Data/Fonts/font_dumper.py | 2 1 + 1 - 0 !
3 files changed, 3 insertions(+), 3 deletions(-)

 fix python3 shebangs.
remove badges.patch | (download)

Docs/Book/Overview.md | 1 0 + 1 - 0 !
1 file changed, 1 deletion(-)

 remove a tracking image.