libint2 2.6.0-1 source package in Ubuntu
Changelog
libint2 (2.6.0-1) unstable; urgency=medium * New upstream release. * debian/control (Vcs-Browser, Vcs-Svn): Updated. * debian/compat: Bumped to 10. * debian/control (Build-Depends): Added libeigen3-dev, gfortran and python3. * debian/rules (override_dh_auto_configure): Set --enable-eri et al. to 1 instead of yes. * debian/rules (override_dh_auto_configure): Add --with-cmakedir, set to /usr/share/cmake/libint2. * debian/libint2-dev.install: Install cmake file. * debian/patches/fortran_bindings.patch: New patch, hacks up export/fortran/Makefile to allow building the Fortran module. * debian/rules (override_dh_auto_build, +override_dh_auto_install): New targets, build and install the Fortran module. * debian/rules (override_dh_auto_configure): Add --with-opt-am=3, --enable-generic-code and --disable-unrolling options. * debian/compat: Bumped to 10. * debian/rules: Run autogen.sh via dh_autoreconf. * debian/libint2-2.install, debian/libint2-dev.install: Adjust for multiarch directories. -- Michael Banck <email address hidden> Tue, 27 Aug 2019 15:42:47 +0200
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 |
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Downloads
File | Size | SHA-256 Checksum |
---|---|---|
libint2_2.6.0-1.dsc | 2.0 KiB | 4c97f3941ed52efe11d9ecb13646925c91fed8eed5e90ebaebea95edaae0e296 |
libint2_2.6.0.orig.tar.gz | 23.6 MiB | 4ae47e8f0b5632c3d2a956469a7920896708e9f0e396ec10071b8181e4c8d9fa |
libint2_2.6.0-1.debian.tar.xz | 3.7 KiB | 71dc46a7f8b6ccb9198f7f48a1af75f10e10cafa5a2966998e793c029e0d89cf |
Available diffs
- diff from 2.3.0~beta3-2 to 2.6.0-1 (18.6 MiB)
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: No summary available for libint2-2-dbgsym in ubuntu eoan.
No description available for libint2-2-dbgsym in ubuntu eoan.
- libint2-dev: No summary available for libint2-dev in ubuntu eoan.
No description available for libint2-dev in ubuntu eoan.