Hello community, here is the log from the commit of package libcint for openSUSE:Factory checked in at 2020-11-29 12:28:35 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Comparing /work/SRC/openSUSE:Factory/libcint (Old) and /work/SRC/openSUSE:Factory/.libcint.new.5913 (New) ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Package is "libcint" Sun Nov 29 12:28:35 2020 rev:2 rq:851089 version:4.0.6 Changes: -------- --- /work/SRC/openSUSE:Factory/libcint/libcint.changes 2020-09-10 22:55:12.560409220 +0200 +++ /work/SRC/openSUSE:Factory/.libcint.new.5913/libcint.changes 2020-11-29 12:28:45.058021762 +0100 @@ -1,0 +2,19 @@ +Thu Nov 12 14:28:38 UTC 2020 - andy great <[email protected]> + +- Update to version 4.0.6. + * Fix return value bug in rysroots +- Update since 3.1.1. + * Fix prescreening bug in int3c2e + * Fix cache size bug in int3c1e + * Fix memory allocation bug in int3c1e + * Improve macro MALLOC_INSTACK + * Fix function typedef bug in include/cint_funcs.h + * Update cmake configs and docs + * API Change. PTR_LIGHT_SPEED is replaced with PTR_EXPCUTOFF. + Integral screening parameter can be passed through + env[PTR_EXPCUTOFF] + * Add short-range integrals for range-separation + * Handle linear dependency in Rys polynomial + * Avoid calling exit function + +------------------------------------------------------------------- Old: ---- libcint-3.1.1.tar.gz New: ---- libcint-4.0.6.tar.gz ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Other differences: ------------------ ++++++ libcint.spec ++++++ --- /var/tmp/diff_new_pack.GZC0ss/_old 2020-11-29 12:28:46.178022894 +0100 +++ /var/tmp/diff_new_pack.GZC0ss/_new 2020-11-29 12:28:46.178022894 +0100 @@ -16,12 +16,12 @@ # -%define major 3 -%define minor 1 +%define major 4 +%define minor 0 %define libname %{name}%{major} %define develname cint Name: libcint -Version: %{major}.%{minor}.1 +Version: %{major}.%{minor}.6 Release: 0 Summary: General Gaussian-type orbitals integrals for quantum chemistry License: BSD-2-Clause @@ -30,7 +30,6 @@ BuildRequires: cmake BuildRequires: gcc-fortran BuildRequires: openblas-devel -BuildRequires: python3-devel BuildRequires: python3-numpy # qcint is a drop-in replacement of the same library with architecture dependent optimizations Conflicts: qcint ++++++ libcint-3.1.1.tar.gz -> libcint-4.0.6.tar.gz ++++++ /work/SRC/openSUSE:Factory/libcint/libcint-3.1.1.tar.gz /work/SRC/openSUSE:Factory/.libcint.new.5913/libcint-4.0.6.tar.gz differ: char 14, line 1 _______________________________________________ openSUSE Commits mailing list -- [email protected] To unsubscribe, email [email protected] List Netiquette: https://en.opensuse.org/openSUSE:Mailing_list_netiquette List Archives: https://lists.opensuse.org/archives/list/[email protected]
