4 Commits

Author SHA256 Message Date
3aba612a77 Accepting request 1291278 from science
* update to 6.1.2
* add cmake-fix-wrong-cint-version-patch.patch to fix wrong library
  version in CMakeLists.txt (gh#sunqm/libcint#117)

OBS-URL: https://build.opensuse.org/request/show/1291278
OBS-URL: https://build.opensuse.org/package/show/openSUSE:Factory/libcint?expand=0&rev=6
2025-07-09 15:27:23 +00:00
8c14bb0587 OBS-URL: https://build.opensuse.org/package/show/science/libcint?expand=0&rev=12 2025-07-08 13:13:08 +00:00
84d9efb8ea OBS-URL: https://build.opensuse.org/package/show/science/libcint?expand=0&rev=11 2025-07-08 13:12:38 +00:00
bf4f71b549 Accepting request 1291136 from home:mathletic:branches:science
- update to 6.1.2
  * Update libcint version tag to align with the new release of qcint
- update to 6.1.1
  * Add explicit SSE3 instructions for int2e
- update to 6.1
  * Add new integral int1e_grids_ipip
- update to 6.0
  * Add polynomial root finder using the eigenvalue algorithm
  * Fitting Rys roots of SR integrals with Chebyshev polynomials
  * Remove GTG integrals which are erroneous in previous versions
  * Remove coulerf integrals which has been covered by regular int2e functions
- add cmake-fix-wrong-cint-version-patch.patch to fix wrong library
  version in CMakeLists.txt

OBS-URL: https://build.opensuse.org/request/show/1291136
OBS-URL: https://build.opensuse.org/package/show/science/libcint?expand=0&rev=10
2025-07-08 13:11:57 +00:00
5 changed files with 49 additions and 7 deletions

View File

@@ -0,0 +1,22 @@
From c0a8902d85bb1304911fd050e02689072dbfb933 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Christoph=20Gr=C3=BCninger?= <foss@grueninger.de>
Date: Sun, 6 Jul 2025 08:08:58 +0200
Subject: [PATCH] [cmake] Fix wrong cint_VERSION_PATCH
---
CMakeLists.txt | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/CMakeLists.txt b/CMakeLists.txt
index ad9ee22..3833031 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -2,7 +2,7 @@ cmake_minimum_required (VERSION 3.15)
project (cint C)
set(cint_VERSION_MAJOR "6")
set(cint_VERSION_MINOR "1")
-set(cint_VERSION_PATCH "1")
+set(cint_VERSION_PATCH "2")
set(cint_VERSION_TWEAK "0")
set(cint_VERSION "${cint_VERSION_MAJOR}.${cint_VERSION_MINOR}.${cint_VERSION_PATCH}")
set(cint_SOVERSION "${cint_VERSION_MAJOR}")

View File

@@ -1,3 +0,0 @@
version https://git-lfs.github.com/spec/v1
oid sha256:c822a9a454587d935287de0f64a2c2cf5338323a554a3f34bcfb4a2892daf477
size 43042391

3
libcint-6.1.2.tar.gz Normal file
View File

@@ -0,0 +1,3 @@
version https://git-lfs.github.com/spec/v1
oid sha256:8287e1eaf2b8c8e19eb7a8ea92fd73898f0884023c503b84624610400adb25c4
size 50862041

View File

@@ -1,3 +1,20 @@
-------------------------------------------------------------------
Sun Jul 6 07:08:38 UTC 2025 - Christoph G <foss@grueninger.de>
- update to 6.1.2
* Update libcint version tag to align with the new release of qcint
- update to 6.1.1
* Add explicit SSE3 instructions for int2e
- update to 6.1
* Add new integral int1e_grids_ipip
- update to 6.0
* Add polynomial root finder using the eigenvalue algorithm
* Fitting Rys roots of SR integrals with Chebyshev polynomials
* Remove GTG integrals which are erroneous in previous versions
* Remove coulerf integrals which has been covered by regular int2e functions
- add cmake-fix-wrong-cint-version-patch.patch to fix wrong library
version in CMakeLists.txt (gh#sunqm/libcint#117)
-------------------------------------------------------------------
Wed Nov 15 21:37:21 UTC 2023 - Dirk Müller <dmueller@suse.com>

View File

@@ -1,7 +1,7 @@
#
# spec file for package libcint
#
# Copyright (c) 2023 SUSE LLC
# Copyright (c) 2025 SUSE LLC
#
# All modifications and additions to the file contributed by third parties
# remain the property of their copyright owners, unless otherwise agreed
@@ -16,17 +16,19 @@
#
%define major 5
%define major 6
%define libname %{name}%{major}
%define develname cint
Name: libcint
Version: 5.5.0
Version: 6.1.2
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
BuildRequires: cmake
# PATCH-FIX-UPSTREAM https://github.com/sunqm/libcint/issues/117
Patch0: cmake-fix-wrong-cint-version-patch.patch
BuildRequires: cmake >= 3.15
BuildRequires: gcc-fortran
BuildRequires: openblas-devel
BuildRequires: python3-numpy
@@ -60,6 +62,7 @@ developing applications that use %{name}.
%build
%cmake -DCMAKE_INSTALL_LIBDIR=%{_lib} \
-DCMAKE_C_STANDARD=17 \
-DENABLE_EXAMPLE:BOOL=ON \
-DWITH_F12:BOOL=ON \
-DWITH_COULOMB_ERF:BOOL=ON \