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 Pocket Published Component Section

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

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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.

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