Package: psi4 / 1:1.3.2+dfsg-6

Metadata

Package Version Patches format
psi4 1:1.3.2+dfsg-6 3.0 (quilt)

Patch series

view the series file
Patch File delta Description
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/dh_functionals.py | 50 0 + 50 - 0 !
psi4/driver/procrouting/dft/hyb_functionals.py | 100 0 + 100 - 0 !
psi4/src/psi4/libfunctional/LibXCfunctional.cc | 96 30 + 66 - 0 !
tests/dft-smoke/input.dat | 1 0 + 1 - 0 !
7 files changed, 34 insertions(+), 223 deletions(-)

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libint_external.patch | (download)

CMakeLists.txt | 1 0 + 1 - 0 !
external/upstream/CMakeLists.txt | 1 0 + 1 - 0 !
psi4/CMakeLists.txt | 8 4 + 4 - 0 !
3 files changed, 4 insertions(+), 6 deletions(-)

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gau2grid_2_support.patch | (download)

external/upstream/gau2grid/CMakeLists.txt | 2 1 + 1 - 0 !
psi4/CMakeLists.txt | 2 1 + 1 - 0 !
psi4/src/psi4/libfock/points.cc | 11 8 + 3 - 0 !
3 files changed, 10 insertions(+), 5 deletions(-)

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python3.patch | (download)

psi4/driver/procrouting/proc.py | 2 1 + 1 - 0 !
psi4/driver/qcdb/modelchems.py | 10 5 + 5 - 0 !
2 files changed, 6 insertions(+), 6 deletions(-)

 fix some issues recent python3 is more picky than before


gcc12_compile_fix.patch | (download)

psi4/src/create_new_plugin.cc | 1 1 + 0 - 0 !
1 file changed, 1 insertion(+)

 [patch] plugins missing a header for c-f compilers?


cmake_pymodulesuffix.patch | (download)

cmake/FindPythonLibsNew.cmake | 2 1 + 1 - 0 !
1 file changed, 1 insertion(+), 1 deletion(-)

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numpy 1.24.patch | (download)

psi4/driver/p4util/fcidump.py | 2 1 + 1 - 0 !
psi4/driver/qcdb/bfs.py | 2 1 + 1 - 0 !
psi4/driver/qcdb/datastructures.py | 4 2 + 2 - 0 !
psi4/driver/qcdb/molecule.py | 2 1 + 1 - 0 !
psi4/driver/qcdb/util/scipy_hungarian.py | 4 2 + 2 - 0 !
5 files changed, 7 insertions(+), 7 deletions(-)

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