libint2 2.7.1-1 source package in Ubuntu
Changelog
libint2 (2.7.1-1) unstable; urgency=medium
* New upstream release.
* debian/patches/fix_testsuite_32bit.patch: Updated.
* debian/patches/makefile_fix_distclean.patch: Likewise.
* debian/patches/unsilence_make.patch: Likewise.
* debian/patches/fix_testsuite.patch: Removed, applied upstream.
* debian/watch: Updated.
* debian/control (libint2-dev/Depends): Added libboost-dev and libeigen3-dev.
* debian/control (Build-Depends): Added cmake.
* debian/rules (override_dh_auto_build, override_dh_auto_test): Removed
targets, no longer needed.
* debian/rules (override_dh_auto_install): Removed Fortran module handling
(done upstream now), and added pkg-config file handling.
* debian/rules (DEB_HOST_MULTIARCH): New variable.
* debian/rules (override_dh_auto_configure): Rewritten for cmake.
* debian/patches/fix_generated_source_soversion.patch: New patch, sets the
SONAME/SOVERSION for the exported library cmake build.
-- Michael Banck <email address hidden> Sun, 09 Jan 2022 12:29:32 +0100
Upload details
- Uploaded by:
- Debichem Team
- Uploaded to:
- Sid
- Original maintainer:
- Debichem Team
- Architectures:
- any
- Section:
- misc
- Urgency:
- Medium Urgency
See full publishing history Publishing
| Series | Published | Component | Section |
|---|
Downloads
| File | Size | SHA-256 Checksum |
|---|---|---|
| libint2_2.7.1-1.dsc | 2.0 KiB | bd7403feb9f31f15af275c70cc34c19979e22a18f027c634a92efa9ad86ba60e |
| libint2_2.7.1.orig.tar.gz | 23.6 MiB | 9ba9b2bbe949d16b95737e43da734c4916a273fb0b70a068ac42c1d4727cbf48 |
| libint2_2.7.1-1.debian.tar.xz | 199.7 KiB | 6bf563c0ad56e1f6284eabf2ace8b6a48ad1b957229a3baefd9e3741017074a6 |
No changes file available.
Binary packages built by this source
- libint2-2: Computation Chemistry Integral Evaluation Library
The LIBINT library is used to evaluate the traditional (electron repulsion)
and certain novel two-body matrix elements (integrals) over Cartesian
Gaussian functions used in modern atomic and molecular theory. The idea
of the library is to let computer write optimized code for computing
such integrals. There are two primary advantages to this: much less
human effort is required to write code for computing new integrals, and
code can be optimized specifically for a particular computer
architecture (e.g., vector processor).
.
LIBINT has been utilized to implement methods such as Hartree-Fock (HF)
and Kohn-Sham density functional theory (KS DFT), second-order
Moeller-Plesset perturbation theory (MP2), coupled cluster singles and
doubles (CCSD) method, as well as explicitly correlated R12 methods.
.
This package contains the shared library.
- libint2-2-dbgsym: debug symbols for libint2-2
- libint2-dev: Computation Chemistry Integral Evaluation Library (development files)
The Libint2 library is used to evaluate the traditional (electron
repulsion) and certain novel two-body matrix elements (integrals) over
Cartesian Gaussian functions used in modern atomic and molecular
theory. The idea of the library is to let computer write optimized
code for computing such integrals. There are two primary advantages to
this: much less human effort is required to write code for computing
new integrals, and code can be optimized specifically for a particular
computer architecture (e.g., vector processor).
.
Libint2 has been utilized to implement methods such as Hartree-Fock
(HF) and Kohn-Sham density functional theory (KS DFT), second-order
Moeller-Plesset perturbation theory (MP2), coupled cluster singles and
doubles (CCSD) method, as well as explicitly correlated R12 methods.
.
This package contains the static library and header files.
