Revisions of libxc
Dominique Leuenberger (dimstar_suse)
accepted
request 1094724
from
Dmitry Roshchin (Dmitry_R)
(revision 4)
Dominique Leuenberger (dimstar_suse)
accepted
request 1090053
from
Atri Bhattacharya (badshah400)
(revision 3)
Dominique Leuenberger (dimstar_suse)
accepted
request 1043190
from
Atri Bhattacharya (badshah400)
(revision 2)
- 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. - Update to version 6.0.0 - Specfile clean up. - Bump so version. - Drop unnecessary autotools BuildRequires (automake, autoconf, libtool). - Update source URL.
Dominique Leuenberger (dimstar_suse)
accepted
request 662741
from
Christoph Junghans (cjunghans)
(revision 1)
- Trim time-sensitive wording from description. - Update to 4.2.3 * timeout when generating the xc_func.h file with CMake. - Major spec file cleanup - 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. - 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. - Update to 4.0.3 * Fixed: Generation of libxc_docs.txt file. * Added: Missing C to Fortran interface for xc_f90_nlc_coef. - Update to 4.0.2 * See https://gitlab.com/libxc/libxc/wikis/Libxc-changes for details * There are a few incompatible changes, be careful - 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. - 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. - First submit using 2.2.2
Displaying all 4 revisions