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Port details on branch 2022Q2
simint Obara-Saika (OS) method of calculating electron repulsion integrals
0.8 science on this many watch lists=0 search for ports that depend on this port Find issues related to this port Report an issue related to this port View this port on Repology. pkg-fallout 0.8Version of this port present on the latest quarterly branch.
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2018-10-08 07:53:03
Last Update: 2022-09-07 21:58:51
Commit Hash: fb16dfe
License: BSD3CLAUSE
WWW:
https://www.bennyp.org/research/simint/
Description:
Simint is a vectorized implementation of the Obara-Saika (OS) method of calculating electron repulsion integrals. Speedup is gained by vectorizing the primitive loop of the OS algorithm, with additional vectorization and optimizations left to the compiler. Simint is intended to be used for quantum chemistry computations.
Homepage    cgit ¦ Codeberg ¦ GitHub ¦ GitLab ¦ SVNWeb

Manual pages:
FreshPorts has no man page information for this port.
pkg-plist: as obtained via: make generate-plist
Expand this list (43 items)
Collapse this list.
  1. @ldconfig
  2. /usr/local/share/licenses/simint-0.8/catalog.mk
  3. /usr/local/share/licenses/simint-0.8/LICENSE
  4. /usr/local/share/licenses/simint-0.8/BSD3CLAUSE
  5. include/simint/boys/boys.h
  6. include/simint/boys/boys_long.h
  7. include/simint/boys/boys_longfac.h
  8. include/simint/boys/boys_shortgrid.h
  9. include/simint/boys/boys_taylor.h
  10. include/simint/constants.h
  11. include/simint/cpp_restrict.hpp
  12. include/simint/osoei/osoei.h
  13. include/simint/ostei/gen/hrr_generated.h
  14. include/simint/ostei/gen/ostei_deriv1_generated.h
  15. include/simint/ostei/gen/ostei_generated.h
  16. include/simint/ostei/gen/vrr_generated.h
  17. include/simint/ostei/ostei.h
  18. include/simint/ostei/ostei_config.h
  19. include/simint/ostei/ostei_general.h
  20. include/simint/ostei/ostei_init.h
  21. include/simint/ostei/recur_lookup.h
  22. include/simint/recur_lookup.h
  23. include/simint/shell/shell.h
  24. include/simint/shell/shell_constants.h
  25. include/simint/shell/shell_screen.h
  26. include/simint/simint.h
  27. include/simint/simint_eri.h
  28. include/simint/simint_init.h
  29. include/simint/simint_oneelectron.h
  30. include/simint/vectorization/intrinsics_avx.h
  31. include/simint/vectorization/intrinsics_avx512.h
  32. include/simint/vectorization/intrinsics_scalar.h
  33. include/simint/vectorization/intrinsics_sse.h
  34. include/simint/vectorization/vector_config.h
  35. include/simint/vectorization/vectorization.h
  36. lib/libsimint.so
  37. share/cmake/simint/simintConfig.cmake
  38. share/cmake/simint/simintConfigVersion.cmake
  39. share/cmake/simint/simintTargets-release.cmake
  40. share/cmake/simint/simintTargets.cmake
  41. @owner
  42. @group
  43. @mode
Collapse this list.
Dependency lines:
  • simint>0:science/simint
To install the port:
cd /usr/ports/science/simint/ && make install clean
To add the package, run one of these commands:
  • pkg install science/simint
  • pkg install simint
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.
PKGNAME: simint
Flavors: there is no flavor information for this port.
distinfo:
TIMESTAMP = 1539225341 SHA256 (simint-v0.8.tar.bz2) = 43cfde26a86d9ce5b05fad7ee35fc2d8b35c1bf3ca1b2e1fcb3396b57e6ac199 SIZE (simint-v0.8.tar.bz2) = 2779894
Packages (timestamps in pop-ups are UTC):
simint
ABIaarch64amd64armv6armv7i386powerpcpowerpc64powerpc64le
FreeBSD:13:latest0.80.80.80.80.8-0.8-
FreeBSD:13:quarterly0.80.80.80.80.80.80.80.8
FreeBSD:14:latest0.80.80.80.80.80.8-0.8
FreeBSD:14:quarterly0.80.8-0.80.80.80.80.8
FreeBSD:15:latest0.80.8n/a0.8n/a0.80.80.8
FreeBSD:15:quarterly--n/a-n/a---
Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. cmake : devel/cmake-core
  2. ninja : devel/ninja
There are no ports dependent upon this port
Configuration Options:
===> The following configuration options are available for simint-0.8: ====> Vector SIMD optimization: you have to select exactly one of them SCALAR=off: Unvectorized: no SIMD acceleration SSE3=on: Intel CPUs with SSSE3 support AVX=off: Intel CPUs with AVX support (Sandy/Ivy Bridge, Haswell) AVXFMA=off: Intel CPUs with AVX and FMA support (Haswell) MICAVX512=off: Intel KNL (experimental) ===> Use 'make config' to modify these settings
Options name:
science_simint
USES:
cmake tar:bz2
FreshPorts was unable to extract/find any pkg message
Master Sites:
Expand this list (1 items)
Collapse this list.
  1. http://www.bennyp.org/research/simint/download/
Collapse this list.

There are no commits on branch 2022Q2 for this port
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