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| Name: libxc-devel | Distribution: SUSE Linux Enterprise 15 SP6 |
| Version: 6.2.2 | Vendor: openSUSE |
| Release: bp156.1.5 | Build date: Mon May 13 18:09:00 2024 |
| Group: Development/Libraries/Other | Build host: i02-ch1b |
| Size: 383838 | Source RPM: libxc-6.2.2-bp156.1.5.src.rpm |
| Packager: https://bugs.opensuse.org | |
| Url: https://www.tddft.org/programs/libxc/ | |
| Summary: Development files for libxc | |
Libxc is a library of exchange and correlation functionals. Its purpose is to be used in codes that implement density-functional theory. The library includes most of the local density approximations (LDAs), generalized density approximation (GGAs), and meta-GGAs. The library provides values for the energy density and its 1st, 2nd, and (for the LDAs) 3rd derivatives. This package contains development headers and libraries for libxc.
MPL-2.0
* Thu Jun 22 2023 Martin Pluskal <mpluskal@suse.com>
- 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 <dmueller@suse.com>
- 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 <badshah400@gmail.com>
- 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 <badshah400@gmail.com>
- 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 <jengelh@inai.de>
- Trim time-sensitive wording from description.
* Sun Dec 30 2018 Christoph Junghans <junghans@votca.org>
- Update to 4.2.3
* timeout when generating the xc_func.h file with CMake.
- Major spec file cleanup
* Sun Jun 17 2018 rwarmbier@uj.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.warmbier@wits.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.warmbier@wits.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.warmbier@wits.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
* Tue Nov 07 2017 robert.warmbier@wits.ac.za
- Update to 3.0.0
* See https://gitlab.com/libxc/libxc/wikis/Libxc-changes for details
* Added
* Micro version number to version function and version header file.
* Version_string function, which returns the version number in the following format: major.minor.micro
* Fortran 2003 interface using the iso_c_bindings module.
* Thu Jul 21 2016 robert.warmbier@wits.ac.za
- Update to 2.2.3
* Fixed bugs in the following functionals:
* GGA: X_N12, C_N12, C_N12_SX, all the X_HJS_*, X_VMT84_GE
* HYB_GGA: X_N12_SX, all the XC_HJS_*, XC_O3LYP, XC_X3LYP
* GGA (second order derivatives only): X_B88, X_OPTB88_VDW, X_MB88, K_LLP, K_FR_B88, K_THAKKAR
* Fixed build with gcc 6.
* Tue Nov 24 2015 robert.warmbier@wits.ac.za
- First submit using 2.2.2
/usr/bin/xc-info /usr/include/libxc.bib /usr/include/xc.h /usr/include/xc_f03_lib_m.mod /usr/include/xc_f90_lib_m.mod /usr/include/xc_funcs.h /usr/include/xc_funcs_removed.h /usr/include/xc_funcs_worker.h /usr/include/xc_version.h /usr/lib64/libxc.so /usr/lib64/libxcf03.so /usr/lib64/libxcf90.so /usr/lib64/pkgconfig/libxc.pc /usr/lib64/pkgconfig/libxcf03.pc /usr/lib64/pkgconfig/libxcf90.pc /usr/share/doc/packages/libxc-devel /usr/share/doc/packages/libxc-devel/AUTHORS /usr/share/doc/packages/libxc-devel/ChangeLog /usr/share/doc/packages/libxc-devel/NEWS /usr/share/doc/packages/libxc-devel/README /usr/share/licenses/libxc-devel /usr/share/licenses/libxc-devel/COPYING
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