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4 Commits
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| 3aba612a77 | |||
| 8c14bb0587 | |||
| 84d9efb8ea | |||
| bf4f71b549 |
22
cmake-fix-wrong-cint-version-patch.patch
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22
cmake-fix-wrong-cint-version-patch.patch
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@@ -0,0 +1,22 @@
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From c0a8902d85bb1304911fd050e02689072dbfb933 Mon Sep 17 00:00:00 2001
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From: =?UTF-8?q?Christoph=20Gr=C3=BCninger?= <foss@grueninger.de>
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Date: Sun, 6 Jul 2025 08:08:58 +0200
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Subject: [PATCH] [cmake] Fix wrong cint_VERSION_PATCH
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---
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CMakeLists.txt | 2 +-
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1 file changed, 1 insertion(+), 1 deletion(-)
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diff --git a/CMakeLists.txt b/CMakeLists.txt
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index ad9ee22..3833031 100644
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--- a/CMakeLists.txt
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+++ b/CMakeLists.txt
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@@ -2,7 +2,7 @@ cmake_minimum_required (VERSION 3.15)
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project (cint C)
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set(cint_VERSION_MAJOR "6")
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set(cint_VERSION_MINOR "1")
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-set(cint_VERSION_PATCH "1")
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+set(cint_VERSION_PATCH "2")
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set(cint_VERSION_TWEAK "0")
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set(cint_VERSION "${cint_VERSION_MAJOR}.${cint_VERSION_MINOR}.${cint_VERSION_PATCH}")
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set(cint_SOVERSION "${cint_VERSION_MAJOR}")
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@@ -1,3 +0,0 @@
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version https://git-lfs.github.com/spec/v1
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oid sha256:c822a9a454587d935287de0f64a2c2cf5338323a554a3f34bcfb4a2892daf477
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size 43042391
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3
libcint-6.1.2.tar.gz
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3
libcint-6.1.2.tar.gz
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@@ -0,0 +1,3 @@
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version https://git-lfs.github.com/spec/v1
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oid sha256:8287e1eaf2b8c8e19eb7a8ea92fd73898f0884023c503b84624610400adb25c4
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size 50862041
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@@ -1,3 +1,20 @@
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-------------------------------------------------------------------
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Sun Jul 6 07:08:38 UTC 2025 - Christoph G <foss@grueninger.de>
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- update to 6.1.2
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* Update libcint version tag to align with the new release of qcint
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- update to 6.1.1
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* Add explicit SSE3 instructions for int2e
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- update to 6.1
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* Add new integral int1e_grids_ipip
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- update to 6.0
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* Add polynomial root finder using the eigenvalue algorithm
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* Fitting Rys roots of SR integrals with Chebyshev polynomials
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* Remove GTG integrals which are erroneous in previous versions
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* Remove coulerf integrals which has been covered by regular int2e functions
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- add cmake-fix-wrong-cint-version-patch.patch to fix wrong library
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version in CMakeLists.txt (gh#sunqm/libcint#117)
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-------------------------------------------------------------------
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-------------------------------------------------------------------
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Wed Nov 15 21:37:21 UTC 2023 - Dirk Müller <dmueller@suse.com>
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Wed Nov 15 21:37:21 UTC 2023 - Dirk Müller <dmueller@suse.com>
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11
libcint.spec
11
libcint.spec
@@ -1,7 +1,7 @@
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#
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#
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# spec file for package libcint
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# spec file for package libcint
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#
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#
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# Copyright (c) 2023 SUSE LLC
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# Copyright (c) 2025 SUSE LLC
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#
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#
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# All modifications and additions to the file contributed by third parties
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# All modifications and additions to the file contributed by third parties
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# remain the property of their copyright owners, unless otherwise agreed
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# remain the property of their copyright owners, unless otherwise agreed
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@@ -16,17 +16,19 @@
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#
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#
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%define major 5
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%define major 6
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%define libname %{name}%{major}
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%define libname %{name}%{major}
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%define develname cint
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%define develname cint
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Name: libcint
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Name: libcint
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Version: 5.5.0
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Version: 6.1.2
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Release: 0
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Release: 0
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Summary: General Gaussian-type orbitals integrals for quantum chemistry
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Summary: General Gaussian-type orbitals integrals for quantum chemistry
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License: BSD-2-Clause
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License: BSD-2-Clause
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URL: https://github.com/sunqm/libcint
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URL: https://github.com/sunqm/libcint
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Source: https://github.com/sunqm/libcint/archive/v%{version}/%{name}-%{version}.tar.gz
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Source: https://github.com/sunqm/libcint/archive/v%{version}/%{name}-%{version}.tar.gz
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BuildRequires: cmake
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# PATCH-FIX-UPSTREAM https://github.com/sunqm/libcint/issues/117
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Patch0: cmake-fix-wrong-cint-version-patch.patch
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BuildRequires: cmake >= 3.15
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BuildRequires: gcc-fortran
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BuildRequires: gcc-fortran
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BuildRequires: openblas-devel
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BuildRequires: openblas-devel
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BuildRequires: python3-numpy
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BuildRequires: python3-numpy
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@@ -60,6 +62,7 @@ developing applications that use %{name}.
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%build
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%build
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%cmake -DCMAKE_INSTALL_LIBDIR=%{_lib} \
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%cmake -DCMAKE_INSTALL_LIBDIR=%{_lib} \
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-DCMAKE_C_STANDARD=17 \
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-DENABLE_EXAMPLE:BOOL=ON \
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-DENABLE_EXAMPLE:BOOL=ON \
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-DWITH_F12:BOOL=ON \
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-DWITH_F12:BOOL=ON \
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-DWITH_COULOMB_ERF:BOOL=ON \
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-DWITH_COULOMB_ERF:BOOL=ON \
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