Package: psi4 / 1:1.2.1-2

Metadata

Package Version Patches format
psi4 1:1.2.1-2 3.0 (quilt)

Patch series

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

psi4/src/psi4/libmints/eri.h | 2 1 + 1 - 0 !
1 file changed, 1 insertion(+), 1 deletion(-)

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verbose_makefile.patch | (download)

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

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runtests_python3.patch | (download)

tests/runtest.py | 2 1 + 1 - 0 !
1 file changed, 1 insertion(+), 1 deletion(-)

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relax_external_cmake_requirements.patch | (download)

external/upstream/pybind11/CMakeLists.txt | 2 1 + 1 - 0 !
psi4/CMakeLists.txt | 2 1 + 1 - 0 !
2 files changed, 2 insertions(+), 2 deletions(-)

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libxc_external.patch | (download)

CMakeLists.txt | 1 0 + 1 - 0 !
external/upstream/CMakeLists.txt | 1 0 + 1 - 0 !
psi4/CMakeLists.txt | 8 4 + 4 - 0 !
psi4/driver/procrouting/dft_funcs/dict_dh_funcs.py | 50 0 + 50 - 0 !
psi4/driver/procrouting/dft_funcs/dict_hyb_funcs.py | 96 0 + 96 - 0 !
psi4/src/psi4/libfunctional/LibXCfunctional.cc | 99 31 + 68 - 0 !
psi4/src/psi4/libfunctional/factory.cc | 2 1 + 1 - 0 !
tests/dft-smoke/input.dat | 1 0 + 1 - 0 !
8 files changed, 36 insertions(+), 222 deletions(-)

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dfhelper_crash_fix.patch | (download)

psi4/src/psi4/lib3index/dfhelper.cc | 11 6 + 5 - 0 !
1 file changed, 6 insertions(+), 5 deletions(-)

 [patch] fix list decrement in psi::dfhelper::identify_order


testsuite_32bit_memory.patch | (download)

tests/json/v11-energy/input.py | 2 1 + 1 - 0 !
tests/options1/input.dat | 4 1 + 3 - 0 !
2 files changed, 2 insertions(+), 4 deletions(-)

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