Package: openmm / 8.1.2+dfsg-11

Metadata

Package Version Patches format
openmm 8.1.2+dfsg-11 3.0 (quilt)

Patch series

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

CMakeLists.txt | 4 1 + 3 - 0 !
libraries/vecmath/include/sse_mathfun.h | 5 3 + 2 - 0 !
libraries/vecmath/src/vecmath.cpp | 2 1 + 1 - 0 !
openmmapi/include/openmm/internal/hardware.h | 5 2 + 3 - 0 !
openmmapi/include/openmm/internal/vectorize.h | 2 1 + 1 - 0 !
openmmapi/include/openmm/internal/vectorize_sse.h | 9 3 + 6 - 0 !
6 files changed, 11 insertions(+), 16 deletions(-)

 add support for non-(amd64,arm,ppc) using simd everywhere
skip tests.patch | (download)

platforms/cpu/tests/TestCpuNonbondedForce.cpp | 2 1 + 1 - 0 !
wrappers/python/tests/TestCharmmFiles.py | 2 2 + 0 - 0 !
wrappers/python/tests/TestForceField.py | 4 4 + 0 - 0 !
wrappers/python/tests/TestIntegrators.py | 1 1 + 0 - 0 !
wrappers/python/tests/TestModeller.py | 2 1 + 1 - 0 !
5 files changed, 9 insertions(+), 2 deletions(-)

 skipping tests that either take too long, require unsupported
 platforms, or are too memory-intensive.
default_plugin_dir.diff | (download)

olla/src/Platform.cpp | 2 1 + 1 - 0 !
1 file changed, 1 insertion(+), 1 deletion(-)

 setting policy-compatible path for plugins.
ignore stochastic test failures.patch | (download)

openmmapi/include/openmm/internal/AssertionUtilities.h | 4 2 + 2 - 0 !
1 file changed, 2 insertions(+), 2 deletions(-)

 ignoring stochastic test failures.
reproducible build.patch | (download)

wrappers/python/setup.py | 2 1 + 1 - 0 !
1 file changed, 1 insertion(+), 1 deletion(-)

 make build reproducible by un-embedding build path.
disable jit on armel armhf.patch | (download)

CMakeLists.txt | 4 3 + 1 - 0 !
1 file changed, 3 insertions(+), 1 deletion(-)

 disable lepton-jit integration on armel and armhf as binaries
 built with it run into segmentation faults. This is discussed in more
 detail in #992180 and may be caused by lack of support for armel and
 armhf in JIT (see #1049872).
4602.patch | (download)

wrappers/python/openmm/app/internal/amber_file_parser.py | 17 6 + 11 - 0 !
wrappers/python/tests/TestAmberInpcrdFile.py | 9 2 + 7 - 0 !
2 files changed, 8 insertions(+), 18 deletions(-)

 [patch 1/2] fix import of netcdf_file for scipy 1.14


4622.patch | (download)

wrappers/python/src/swig_doxygen/swig_lib/python/typemaps.i | 138 72 + 66 - 0 !
1 file changed, 72 insertions(+), 66 deletions(-)

 [patch 1/3] support numpy 2


regex_escapes_PR4804.patch | (download)

wrappers/python/openmm/__init__.py | 2 1 + 1 - 0 !
wrappers/python/openmm/app/gromacsgrofile.py | 2 1 + 1 - 0 !
wrappers/python/openmm/app/internal/amber_file_parser.py | 2 1 + 1 - 0 !
wrappers/python/openmm/app/internal/pdbstructure.py | 4 2 + 2 - 0 !
wrappers/python/openmm/app/internal/pdbx/reader/PdbxParser.py | 22 11 + 11 - 0 !
wrappers/python/openmm/app/internal/pdbx/reader/PdbxReader.py | 22 11 + 11 - 0 !
wrappers/python/openmm/app/metadynamics.py | 2 1 + 1 - 0 !
wrappers/python/src/swig_doxygen/swig_lib/python/extend.i | 2 1 + 1 - 0 !
8 files changed, 29 insertions(+), 29 deletions(-)

 [patch] fixed backslashes that were improperly interpreted as escapes