Changelog for
libxc-devel-6.2.2-15.1.x86_64.rpm :
* Thu Jun 22 2023 Martin Pluskal
- Update to version 6.2.2:
* Dimension of v4rhosigma2lapl, v4rhosigma2tau, v4rhosigmatau2, v4sigma3tau arrays was wrong
* CMake employed ENABLE_XHOST=ON by default, resulting in binaries specific to the host processor
* Mon May 29 2023 Dirk Müller - update to 6.2.0:
* CMake does not link standard math library in shared xc library
* Taylor expansions used in GGA_C_REVTCA, GGA_K_VT84F, MGGA_X_FT98 were not of sufficient to guarantee accuracy of all derivatives
* Replaced hard cutoff in MGGA_X_MBRXC_BG with a Taylor expansion
* StandardMathLibraryC.cmake reusing variable names
* Memory allocation in xc-regression
* MGGA_C_REVSCAN was implemented incorrectly
* Missing comma in MGGA_XC_B97M_V
* GGA_X_HERMAN was incorrect: the functional is really a meta- GGA but its form was unclear and it seems numerically unstable
* Wed Dec 14 2022 Atri Bhattacharya - Move xc-info binary to devel package and make devel pkg conflict with older libxc5 to work around SLPP guideline violation from older shared lib versions.
* Fri Dec 09 2022 Atri Bhattacharya - Update to version 6.0.0:
* Changes to the internal handling of derivatives
* Improvements in array access, resulting in significant speedups on GPUs.
* Bug fix: LDA_C_KARASIEV and LDA_C_KARASIEV_MOD were implemented incorrectly.
* Added: - GGA functionals: XC_B97_3C, X_PBE_GAUSSIAN, C_PBE_GAUSSIAN, X_PBE_MOD, X_NCAPR - HYB_GGA functionals: XC_B3P86_NWCHEM - MGGA functionals: C_TPSS_GAUSSIAN, C_CC, C_CCALDA, X_VCML, XC_VCML_RVV10 - HYB_MGGA functionals: XC_BR3P86 - functions to extract BibTeX reference keys from functionals- Specfile clean up.- Bump so version.- Drop unnecessary autotools BuildRequires (automake, autoconf, libtool).- Update source URL.
* Tue Jan 01 2019 Jan Engelhardt - Trim time-sensitive wording from description.
* Sun Dec 30 2018 Christoph Junghans - Update to 4.2.3
* timeout when generating the xc_func.h file with CMake.- Major spec file cleanup
* Sun Jun 17 2018 rwarmbierAATTuj.ac.za- Update to 4.2.1
* Many changes (see http://www.tddft.org/programs/libxc/changes/) , f.e.:
* License from LGPL to the Mozilla Public License 2 (MPL2).
* CPP for Fortran sources macro, so that cpp -C -freestanding is used instead of cpp -ansi.
* Wed Mar 14 2018 robert.warmbierAATTwits.ac.za- Update to 4.0.4
* Fixed:
* Incorrect XC_CORRELATION flag in the XC_LDA_K_ZLP, XC_LDA_X_RAE, and XC_GGA_XC_HLE16 functionals.
* Incorrect XC_EXCHANGE flag in the XC_GGA_C_SG4, XC_GGA_C_PBE_MOL, and XC_GGA_C_TM_PBE functionals.
* Incorrect XC_EXCHANGE_CORRELATION flag in the XC_MGGA_C_SCAN_RVV10 functional.
* Incorrect XC_FAMILY_MGGA family in the HYB_MGGA_XC_B0KCIS functional.
* Wed Nov 22 2017 robert.warmbierAATTwits.ac.za- Update to 4.0.3
* Fixed: Generation of libxc_docs.txt file.
* Added: Missing C to Fortran interface for xc_f90_nlc_coef.
* Wed Nov 08 2017 robert.warmbierAATTwits.ac.za- Update to 4.0.2
* See https://gitlab.com/libxc/libxc/wikis/Libxc-changes for details
* There are a few incompatible changes, be careful
