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ecpint-common-1.0.7-2.11 RPM for noarch

From OpenSuSE Tumbleweed for noarch

Name: ecpint-common Distribution: openSUSE Tumbleweed
Version: 1.0.7 Vendor: openSUSE
Release: 2.11 Build date: Fri Feb 2 23:04:03 2024
Group: Productivity/Scientific/Chemistry Build host: i02-ch1c
Size: 229287 Source RPM: libecpint-1.0.7-2.11.src.rpm
Packager: https://bugs.opensuse.org
Url: https://github.com/robashaw/libecpint
Summary: Architecture independent data files for libecpint
 
Libecpint is a C++ library for the efficient evaluation of integrals over ab
initio effective core potentials, using a mixture of generated, recursive
code and Gauss-Chebyshev quadrature. It is designed to be standalone and
generic.

This package contains architecture independent data files for libecpint

Provides

Requires

License

MIT

Changelog

* Tue Dec 14 2021 Christoph Junghans <junghans@votca.org>
  - Fix deps of devel package
* Tue Dec 14 2021 Christoph Junghans <junghans@votca.org>
  - Fix tests on i586
* Sun Dec 12 2021 Christoph Junghans <junghans@votca.org>
  - Update to 1.0.7:
    - option to use cerf instead of Faddeeva
    - googletest branch is main not master
    - tests that use xml only triggered if xml included
* Wed Jul 21 2021 Sarah Kriesch <sarah.kriesch@opensuse.org>
  - Add constraints file for workaround because of "Out of memory" on
    s390x (boo#1188441)
* Wed Mar 24 2021 Christoph Junghans <junghans@votca.org>
  - Update to 1.0.6:
    - Includes several minor updates to the CMake infrastructure, in
      particular making pugixml optional, and other changes to make
      compatible with Psi4.
    - Also adds some documentation as part of the JOSS submission.
* Fri Feb 05 2021 Christoph Junghans <junghans@votca.org>
  - Update to 1.0.5;
    - Merges PR #26 replacing C-style arrays in the Bessel function
      routines.
  - Drop 26.patch, merge upstream
* Wed Jan 27 2021 Christoph Junghans <junghans@votca.org>
  - Added 26.patch to fix memory leak
* Wed Jan 13 2021 Christoph Junghans <junghans@votca.org>
  - Update to 1.0.4:
    - Code generation for high-L functions is now considerably
      faster and uses less memory
    - This is the final patch before v1.1
  - Update to 1.0.3:
    - Fix bug in radial type 1 integrals where quadrature could fail
      to converge
    - Const correctness throughout, should allow for parallelisation
      thanks to thomas-dresselhaus
    - Minor updates to docs
* Sat Oct 03 2020 Christoph Junghans <junghans@votca.org>
  - initial import (version 1.0.2)

Files

/usr/share/doc/packages/ecpint-common
/usr/share/doc/packages/ecpint-common/CITATION
/usr/share/doc/packages/ecpint-common/README.md
/usr/share/libecpint
/usr/share/libecpint/parseecp.py
/usr/share/libecpint/raw
/usr/share/libecpint/raw/ecp10mdf.ecp
/usr/share/libecpint/raw/ecp28mdf.ecp
/usr/share/libecpint/raw/ecp46mdf.ecp
/usr/share/libecpint/raw/ecp60mdf.ecp
/usr/share/libecpint/raw/ecp78mdf.ecp
/usr/share/libecpint/raw/lanl2dz.ecp
/usr/share/libecpint/xml
/usr/share/libecpint/xml/ecp10mdf.xml
/usr/share/libecpint/xml/ecp28mdf.xml
/usr/share/libecpint/xml/ecp46mdf.xml
/usr/share/libecpint/xml/ecp60mdf.xml
/usr/share/libecpint/xml/ecp78mdf.xml
/usr/share/libecpint/xml/lanl2dz.xml
/usr/share/licenses/ecpint-common
/usr/share/licenses/ecpint-common/LICENSE

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Fabrice Bellet, Sat Apr 13 23:22:34 2024