Script 'mail_helper' called by obssrc Hello community, here is the log from the commit of package libcint for openSUSE:Factory checked in at 2021-06-27 18:59:25 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Comparing /work/SRC/openSUSE:Factory/libcint (Old) and /work/SRC/openSUSE:Factory/.libcint.new.2625 (New) ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Package is "libcint" Sun Jun 27 18:59:25 2021 rev:4 rq:902632 version:4.4.1 Changes: -------- --- /work/SRC/openSUSE:Factory/libcint/libcint.changes 2021-01-13 18:36:03.102351465 +0100 +++ /work/SRC/openSUSE:Factory/.libcint.new.2625/libcint.changes 2021-06-27 19:00:52.184416979 +0200 @@ -1,0 +2,28 @@ +Thu Jun 17 16:43:30 UTC 2021 - andy great <[email protected]> + +- Update to version 4.4.1. + * Fix bugs in int1e_grids for attenuated Coulomb operators +- Updates for version 4.4.0. + * Fix bugs in c2s transfomration for int1e_grids + * Fix bugs int1e_grids code generator + * Refactor cart2sph + * Refactor int1e drivers +- Updates for version 4.3.0. + * Add new integral type int1e_grids + * Fix cache size type +- Updates for version 4.1.3. + * Fix memory address int32 overflow for heavily contracted basis +- Updates for version 4.1.2 . + * Fix a bug due to significant digits of float128 in the core Fmt integrals +- Updates for version 4.1.1. + * Fix bug in short-range Coulomb core integrals +- Updates for version 4.1.0. + * Add new Rys roots and weights algorithm + * Improve integral accuracy for high angular momentum basis + * Improve integral accuracy for short-range Coulomb integrals + * Add supports of 2-e integrals up to l=15 +- Add patch fix_control_reaches_end_of_non-void_function.patch + Fix error control reaches end of non-void function in int3c2e.c + Patch fixed upsteam. + +------------------------------------------------------------------- Old: ---- libcint-4.0.7.tar.gz New: ---- fix_control_reaches_end_of_non-void_function.patch libcint-4.4.1.tar.gz ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Other differences: ------------------ ++++++ libcint.spec ++++++ --- /var/tmp/diff_new_pack.Dax1Kc/_old 2021-06-27 19:00:52.764417741 +0200 +++ /var/tmp/diff_new_pack.Dax1Kc/_new 2021-06-27 19:00:52.768417746 +0200 @@ -1,7 +1,7 @@ # # spec file for package libcint # -# Copyright (c) 2020 SUSE LLC +# Copyright (c) 2021 SUSE LLC # # All modifications and additions to the file contributed by third parties # remain the property of their copyright owners, unless otherwise agreed @@ -17,16 +17,18 @@ %define major 4 -%define minor 0 +%define minor 4 %define libname %{name}%{major} %define develname cint Name: libcint -Version: %{major}.%{minor}.7 +Version: %{major}.%{minor}.1 Release: 0 Summary: General Gaussian-type orbitals integrals for quantum chemistry License: BSD-2-Clause URL: https://github.com/sunqm/libcint Source: https://github.com/sunqm/libcint/archive/v%{version}/%{name}-%{version}.tar.gz +# PATCH-FIX-UPSTREAM fix_control_reaches_end_of_non-void_function.patch [email protected] -- Fix error control reaches end of non-void function in int3c2e.c +Patch0: fix_control_reaches_end_of_non-void_function.patch BuildRequires: cmake BuildRequires: gcc-fortran BuildRequires: openblas-devel @@ -57,7 +59,7 @@ developing applications that use %{name}. %prep -%setup -q +%autosetup -p1 %build %cmake -DCMAKE_INSTALL_LIBDIR=%{_lib} \ ++++++ fix_control_reaches_end_of_non-void_function.patch ++++++ diff -ruN a/src/autocode/int3c2e.c b/src/autocode/int3c2e.c --- a/src/autocode/int3c2e.c 2021-06-05 00:04:35.000000000 +0700 +++ b/src/autocode/int3c2e.c 2021-06-20 02:36:33.442338786 +0700 @@ -384,6 +384,7 @@ CACHE_SIZE_T int2c2e_ip1_spinor(double complex *out, FINT *dims, FINT *shls, FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { fprintf(stderr, "&c2s_sf_1e_spinor not implementedn"); +return 0; } ALL_CINT(int2c2e_ip1) ALL_CINT_FORTRAN_(int2c2e_ip1) @@ -461,6 +462,7 @@ CACHE_SIZE_T int2c2e_ip2_spinor(double complex *out, FINT *dims, FINT *shls, FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { fprintf(stderr, "&c2s_sf_1e_spinor not implementedn"); +return 0; } ALL_CINT(int2c2e_ip2) ALL_CINT_FORTRAN_(int2c2e_ip2) @@ -1286,6 +1288,7 @@ CACHE_SIZE_T int2c2e_ipip1_spinor(double complex *out, FINT *dims, FINT *shls, FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { fprintf(stderr, "&c2s_sf_1e_spinor not implementedn"); +return 0; } ALL_CINT(int2c2e_ipip1) ALL_CINT_FORTRAN_(int2c2e_ipip1) @@ -1363,6 +1366,7 @@ CACHE_SIZE_T int2c2e_ip1ip2_spinor(double complex *out, FINT *dims, FINT *shls, FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) { fprintf(stderr, "&c2s_sf_1e_spinor not implementedn"); +return 0; } ALL_CINT(int2c2e_ip1ip2) ALL_CINT_FORTRAN_(int2c2e_ip1ip2) ++++++ libcint-4.0.7.tar.gz -> libcint-4.4.1.tar.gz ++++++ /work/SRC/openSUSE:Factory/libcint/libcint-4.0.7.tar.gz /work/SRC/openSUSE:Factory/.libcint.new.2625/libcint-4.4.1.tar.gz differ: char 13, line 1
