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| Name: ecpint-common | Distribution: openSUSE Tumbleweed |
| Version: v1.0.7+git20230218.8e788d4 | Vendor: openSUSE |
| Release: 1.1 | Build date: Wed Apr 3 16:18:54 2024 |
| Group: Productivity/Scientific/Chemistry | Build host: reproducible |
| Size: 229287 | Source RPM: libecpint-v1.0.7+git20230218.8e788d4-1.1.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
MIT
* Wed Apr 03 2024 kkaempf@suse.com
- Update to version v1.0.7+git20230218.8e788d4:
* cmake: migrate C++ standard to targets
(gh#robashaw/libecpint#59)
* cerf instead of Faddeeva (gh#robashaw/libecpint#55)
* misc. build changes (gh#robashaw/libecpint#52)
* Update CMakeLists.txt.in (gh#robashaw/libecpint#54)
* Do not use `#cmakedefine` for `LIBECPINT_MAX_UNROL`
(gh#robashaw/libecpint#50)
* Fix quotation (gh#robashaw/libecpint#47)
* Avoids gtest installation, which is only required for tests
(gh#robashaw/libecpint#46)
* 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)
/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, Mon Apr 29 23:22:28 2024