From cb18357f7ab322766ef7b7cbe515266a2f88b36a Mon Sep 17 00:00:00 2001 From: Dennis Gilmore Date: Thu, 19 Jul 2012 22:05:29 -0500 Subject: [PATCH 01/69] - Rebuilt for https://fedoraproject.org/wiki/Fedora_18_Mass_Rebuild --- mpqc.spec | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/mpqc.spec b/mpqc.spec index e79b72a..1027a9f 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,7 +1,7 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 17%{?dist} +Release: 18%{?dist} License: GPLv2+ and LGPLv2+ Group: Applications/Engineering URL: http://www.mpqc.org/ @@ -164,6 +164,9 @@ rm -rf %{buildroot} %changelog +* Fri Jul 20 2012 Fedora Release Engineering - 2.3.1-18 +- Rebuilt for https://fedoraproject.org/wiki/Fedora_18_Mass_Rebuild + * Tue Feb 28 2012 Fedora Release Engineering - 2.3.1-17 - Rebuilt for c++ ABI breakage From d96bbb9dc464edf04ad771130b356c47e730b267 Mon Sep 17 00:00:00 2001 From: Jussi Lehtola Date: Wed, 25 Jul 2012 23:13:43 +0300 Subject: [PATCH 02/69] Bump spec. --- mpqc.spec | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/mpqc.spec b/mpqc.spec index 1027a9f..60a5ced 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,7 +1,7 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 18%{?dist} +Release: 19%{?dist} License: GPLv2+ and LGPLv2+ Group: Applications/Engineering URL: http://www.mpqc.org/ @@ -164,6 +164,9 @@ rm -rf %{buildroot} %changelog +* Wed Jul 25 2012 Jussi Lehtola - 2.3.1-19 +- Rebuild due to changed libint. + * Fri Jul 20 2012 Fedora Release Engineering - 2.3.1-18 - Rebuilt for https://fedoraproject.org/wiki/Fedora_18_Mass_Rebuild From 0e25452f9adfe850058189d6260700049f3664bd Mon Sep 17 00:00:00 2001 From: Dennis Gilmore Date: Thu, 14 Feb 2013 01:37:07 -0600 Subject: [PATCH 03/69] - Rebuilt for https://fedoraproject.org/wiki/Fedora_19_Mass_Rebuild --- mpqc.spec | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/mpqc.spec b/mpqc.spec index 60a5ced..6909226 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,7 +1,7 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 19%{?dist} +Release: 20%{?dist} License: GPLv2+ and LGPLv2+ Group: Applications/Engineering URL: http://www.mpqc.org/ @@ -164,6 +164,9 @@ rm -rf %{buildroot} %changelog +* Thu Feb 14 2013 Fedora Release Engineering - 2.3.1-20 +- Rebuilt for https://fedoraproject.org/wiki/Fedora_19_Mass_Rebuild + * Wed Jul 25 2012 Jussi Lehtola - 2.3.1-19 - Rebuild due to changed libint. From 361555f2e240d8f752941a131bf7be4e590ea8f0 Mon Sep 17 00:00:00 2001 From: Carl Byington Date: Fri, 29 Mar 2013 09:49:14 -0700 Subject: [PATCH 04/69] autoreconf for aarch64 --- mpqc.spec | 7 +++++-- 1 file changed, 5 insertions(+), 2 deletions(-) diff --git a/mpqc.spec b/mpqc.spec index 6909226..1d824d2 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,7 +1,7 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 20%{?dist} +Release: 21%{?dist} License: GPLv2+ and LGPLv2+ Group: Applications/Engineering URL: http://www.mpqc.org/ @@ -79,7 +79,7 @@ EOF %build export F77=gfortran -autoconf +autoreconf -v -f -i %configure --enable-shared --enable-threads --disable-static --disable-parallel \ --includedir="%{_includedir}/mpqc" \ --with-libdirs="-L%{_libdir}/atlas" \ @@ -164,6 +164,9 @@ rm -rf %{buildroot} %changelog +* Fri Mar 29 2013 Carl Byington 2.3.1-21 +- add autoreconf for aarch64 + * Thu Feb 14 2013 Fedora Release Engineering - 2.3.1-20 - Rebuilt for https://fedoraproject.org/wiki/Fedora_19_Mass_Rebuild From c1a1a1b076004997281289184037e08cb688082b Mon Sep 17 00:00:00 2001 From: Carl Byington Date: Fri, 29 Mar 2013 10:06:14 -0700 Subject: [PATCH 05/69] autoreconf for aarch64 --- mpqc.spec | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/mpqc.spec b/mpqc.spec index 1d824d2..4ba6645 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -8,7 +8,7 @@ URL: http://www.mpqc.org/ Source: http://downloads.sourceforge.net/mpqc/%{name}-%{version}.tar.bz2 Patch0: mpqc-2.3.1-mdv-fix-wfn-lib.patch Requires: %{name}-libs = %{version}-%{release} -BuildRequires: autoconf flex bison +BuildRequires: libtool flex bison BuildRequires: desktop-file-utils BuildRequires: gcc-gfortran tk doxygen BuildRequires: libint-devel atlas-devel From 9b281237dab14d08b0ed7e32834960dbbc6a845e Mon Sep 17 00:00:00 2001 From: Carl Byington Date: Fri, 29 Mar 2013 11:18:02 -0700 Subject: [PATCH 06/69] autoreconf for aarch64 --- mpqc.spec | 6 ++++++ 1 file changed, 6 insertions(+) diff --git a/mpqc.spec b/mpqc.spec index 4ba6645..f59b8f3 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -65,6 +65,12 @@ based on mpqc computational chemistry package from Sandia Labs. %patch0 -p1 sed -i -e 's,molrender.in,%{_datadir}/molrender/molrender.in,g' src/bin/molrender/tkmolrender.in sed -i -e 's,prefix/lib,prefix/%{_lib},g' configure.in +# fixup for modern autoreconf +mv configure.in configure.ac +sed -i -r -e 's/AC_DEFINE\(([^)]*)\)/AC_DEFINE([\1],[],[\1])/g' configure.ac +sed -i -r -e 's/AC_DEFINE_UNQUOTED\(([^,]*),([^)]*)\)/AC_DEFINE_UNQUOTED([\1],\2,[\1])/g' configure.ac +sed -i -r -e 's/AC_DEFINE_DIR\(([^,]*),([^)]*)\)/AC_DEFINE_DIR([\1],\2,[\1])/g' configure.ac +# end autoreconf fixup cat >molrender.desktop << EOF [Desktop Entry] Name=Molrender From 823c477d27841d9cacfb20b15dde4d8814794376 Mon Sep 17 00:00:00 2001 From: Carl Byington Date: Fri, 29 Mar 2013 11:19:21 -0700 Subject: [PATCH 07/69] autoreconf for aarch64 --- mpqc.spec | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/mpqc.spec b/mpqc.spec index f59b8f3..a0bc9cd 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -85,7 +85,7 @@ EOF %build export F77=gfortran -autoreconf -v -f -i +autoreconf -v -f -i -I lib/autoconf %configure --enable-shared --enable-threads --disable-static --disable-parallel \ --includedir="%{_includedir}/mpqc" \ --with-libdirs="-L%{_libdir}/atlas" \ From efa42a15d346751e103bba2a7a9d4223da7e7507 Mon Sep 17 00:00:00 2001 From: Carl Byington Date: Fri, 29 Mar 2013 11:51:38 -0700 Subject: [PATCH 08/69] autoreconf for aarch64 --- mpqc.spec | 1 + 1 file changed, 1 insertion(+) diff --git a/mpqc.spec b/mpqc.spec index a0bc9cd..f82e244 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -86,6 +86,7 @@ EOF %build export F77=gfortran autoreconf -v -f -i -I lib/autoconf +libtoolize --copy --force %configure --enable-shared --enable-threads --disable-static --disable-parallel \ --includedir="%{_includedir}/mpqc" \ --with-libdirs="-L%{_libdir}/atlas" \ From 86209ef960e0602f917aeba9ddf6ef71240638f7 Mon Sep 17 00:00:00 2001 From: Carl Byington Date: Fri, 29 Mar 2013 12:19:09 -0700 Subject: [PATCH 09/69] autoreconf for aarch64 --- mpqc.spec | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/mpqc.spec b/mpqc.spec index f82e244..2f6a4a4 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -70,6 +70,7 @@ mv configure.in configure.ac sed -i -r -e 's/AC_DEFINE\(([^)]*)\)/AC_DEFINE([\1],[],[\1])/g' configure.ac sed -i -r -e 's/AC_DEFINE_UNQUOTED\(([^,]*),([^)]*)\)/AC_DEFINE_UNQUOTED([\1],\2,[\1])/g' configure.ac sed -i -r -e 's/AC_DEFINE_DIR\(([^,]*),([^)]*)\)/AC_DEFINE_DIR([\1],\2,[\1])/g' configure.ac +rm -f lib/autoconf/libtool.m4 # end autoreconf fixup cat >molrender.desktop << EOF [Desktop Entry] @@ -86,7 +87,6 @@ EOF %build export F77=gfortran autoreconf -v -f -i -I lib/autoconf -libtoolize --copy --force %configure --enable-shared --enable-threads --disable-static --disable-parallel \ --includedir="%{_includedir}/mpqc" \ --with-libdirs="-L%{_libdir}/atlas" \ From 31b671600f32917d0f46bc016f420a787bfc5f9b Mon Sep 17 00:00:00 2001 From: Carl Byington Date: Fri, 29 Mar 2013 12:47:35 -0700 Subject: [PATCH 10/69] autoreconf for aarch64 --- mpqc.spec | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/mpqc.spec b/mpqc.spec index 2f6a4a4..859c2f2 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -67,7 +67,7 @@ sed -i -e 's,molrender.in,%{_datadir}/molrender/molrender.in,g' src/bin/molrende sed -i -e 's,prefix/lib,prefix/%{_lib},g' configure.in # fixup for modern autoreconf mv configure.in configure.ac -sed -i -r -e 's/AC_DEFINE\(([^)]*)\)/AC_DEFINE([\1],[],[\1])/g' configure.ac +sed -i -r -e 's/AC_DEFINE\(([^)]*)\)/AC_DEFINE([\1],1,[\1])/g' configure.ac sed -i -r -e 's/AC_DEFINE_UNQUOTED\(([^,]*),([^)]*)\)/AC_DEFINE_UNQUOTED([\1],\2,[\1])/g' configure.ac sed -i -r -e 's/AC_DEFINE_DIR\(([^,]*),([^)]*)\)/AC_DEFINE_DIR([\1],\2,[\1])/g' configure.ac rm -f lib/autoconf/libtool.m4 From 282386a0060df81f7a1d9252cb3dc160f6509f36 Mon Sep 17 00:00:00 2001 From: Carl Byington Date: Fri, 29 Mar 2013 13:34:45 -0700 Subject: [PATCH 11/69] autoreconf for aarch64 --- mpqc.spec | 1 + 1 file changed, 1 insertion(+) diff --git a/mpqc.spec b/mpqc.spec index 859c2f2..3a0b80d 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -70,6 +70,7 @@ mv configure.in configure.ac sed -i -r -e 's/AC_DEFINE\(([^)]*)\)/AC_DEFINE([\1],1,[\1])/g' configure.ac sed -i -r -e 's/AC_DEFINE_UNQUOTED\(([^,]*),([^)]*)\)/AC_DEFINE_UNQUOTED([\1],\2,[\1])/g' configure.ac sed -i -r -e 's/AC_DEFINE_DIR\(([^,]*),([^)]*)\)/AC_DEFINE_DIR([\1],\2,[\1])/g' configure.ac +sed -i -r -e 's/AC_CANONICAL_SYSTEM/AC_CANONICAL_SYSTEM\nAC_DEFINE([SHMTYPE], [void *], [data type for shmat])' configure.ac rm -f lib/autoconf/libtool.m4 # end autoreconf fixup cat >molrender.desktop << EOF From 741a41eb9ed537ee371ab8e05ce032ea07973343 Mon Sep 17 00:00:00 2001 From: Carl Byington Date: Fri, 29 Mar 2013 13:46:01 -0700 Subject: [PATCH 12/69] autoreconf for aarch64 --- mpqc.spec | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/mpqc.spec b/mpqc.spec index 3a0b80d..ef220ca 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -70,7 +70,7 @@ mv configure.in configure.ac sed -i -r -e 's/AC_DEFINE\(([^)]*)\)/AC_DEFINE([\1],1,[\1])/g' configure.ac sed -i -r -e 's/AC_DEFINE_UNQUOTED\(([^,]*),([^)]*)\)/AC_DEFINE_UNQUOTED([\1],\2,[\1])/g' configure.ac sed -i -r -e 's/AC_DEFINE_DIR\(([^,]*),([^)]*)\)/AC_DEFINE_DIR([\1],\2,[\1])/g' configure.ac -sed -i -r -e 's/AC_CANONICAL_SYSTEM/AC_CANONICAL_SYSTEM\nAC_DEFINE([SHMTYPE], [void *], [data type for shmat])' configure.ac +sed -i -r -e 's/AC_CANONICAL_SYSTEM/AC_CANONICAL_SYSTEM\nAC_DEFINE([SHMTYPE], [void *], [data type for shmat])/g' configure.ac rm -f lib/autoconf/libtool.m4 # end autoreconf fixup cat >molrender.desktop << EOF From eba733aaac88523d2c1e12eec508441585e65a47 Mon Sep 17 00:00:00 2001 From: Carl Byington Date: Fri, 29 Mar 2013 14:20:46 -0700 Subject: [PATCH 13/69] autoreconf for aarch64 --- mpqc.spec | 1 + 1 file changed, 1 insertion(+) diff --git a/mpqc.spec b/mpqc.spec index ef220ca..f33cfb7 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -71,6 +71,7 @@ sed -i -r -e 's/AC_DEFINE\(([^)]*)\)/AC_DEFINE([\1],1,[\1])/g' configure.ac sed -i -r -e 's/AC_DEFINE_UNQUOTED\(([^,]*),([^)]*)\)/AC_DEFINE_UNQUOTED([\1],\2,[\1])/g' configure.ac sed -i -r -e 's/AC_DEFINE_DIR\(([^,]*),([^)]*)\)/AC_DEFINE_DIR([\1],\2,[\1])/g' configure.ac sed -i -r -e 's/AC_CANONICAL_SYSTEM/AC_CANONICAL_SYSTEM\nAC_DEFINE([SHMTYPE], [void *], [data type for shmat])/g' configure.ac +sed -i -r -e 's/AC_DEFINE\(\[CXX_RESTRICT\],1,\[CXX_RESTRICT\]\)/AC_DEFINE([restrictxx],[restrict],[have restrict keyword]),AC_DEFINE([restrictxx],[],[do not have restrict keyword])/g' configure.ac rm -f lib/autoconf/libtool.m4 # end autoreconf fixup cat >molrender.desktop << EOF From 940d4117c8cca1ac5318479d01e46941f9b65801 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Petr=20P=C3=ADsa=C5=99?= Date: Wed, 17 Jul 2013 23:30:16 +0200 Subject: [PATCH 14/69] Perl 5.18 rebuild --- mpqc.spec | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/mpqc.spec b/mpqc.spec index f33cfb7..df8c905 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,7 +1,7 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 21%{?dist} +Release: 22%{?dist} License: GPLv2+ and LGPLv2+ Group: Applications/Engineering URL: http://www.mpqc.org/ @@ -173,6 +173,9 @@ rm -rf %{buildroot} %changelog +* Wed Jul 17 2013 Petr Pisar - 2.3.1-22 +- Perl 5.18 rebuild + * Fri Mar 29 2013 Carl Byington 2.3.1-21 - add autoreconf for aarch64 From 1a4930ccba4c0ca8306a5e80614f4c1d9359e072 Mon Sep 17 00:00:00 2001 From: Dennis Gilmore Date: Sat, 3 Aug 2013 07:00:36 -0500 Subject: [PATCH 15/69] - Rebuilt for https://fedoraproject.org/wiki/Fedora_20_Mass_Rebuild --- mpqc.spec | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/mpqc.spec b/mpqc.spec index df8c905..e28b889 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,7 +1,7 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 22%{?dist} +Release: 23%{?dist} License: GPLv2+ and LGPLv2+ Group: Applications/Engineering URL: http://www.mpqc.org/ @@ -173,6 +173,9 @@ rm -rf %{buildroot} %changelog +* Sat Aug 03 2013 Fedora Release Engineering - 2.3.1-23 +- Rebuilt for https://fedoraproject.org/wiki/Fedora_20_Mass_Rebuild + * Wed Jul 17 2013 Petr Pisar - 2.3.1-22 - Perl 5.18 rebuild From aaf3c332738475241f88f53c34b1c1b0159ddaf1 Mon Sep 17 00:00:00 2001 From: Susi Lehtola Date: Mon, 23 Dec 2013 22:31:14 +0200 Subject: [PATCH 16/69] Bump spec. --- mpqc.spec | 10 ++++++++-- 1 file changed, 8 insertions(+), 2 deletions(-) diff --git a/mpqc.spec b/mpqc.spec index e28b889..a787809 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,7 +1,7 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 23%{?dist} +Release: 24%{?dist} License: GPLv2+ and LGPLv2+ Group: Applications/Engineering URL: http://www.mpqc.org/ @@ -14,6 +14,9 @@ BuildRequires: gcc-gfortran tk doxygen BuildRequires: libint-devel atlas-devel BuildRoot: %(mktemp -ud %{_tmppath}/%{name}-%{version}-%{release}-XXXXXX) +# Libint can have API breakage between releases +Requires: libint%{?_isa} = %{_libint_version} + %description MPQC is the Massively Parallel Quantum Chemistry Program. It computes properties of atoms and molecules from first principles using the time @@ -53,7 +56,7 @@ based on mpqc computational chemistry package from Sandia Labs. %package devel Summary: Development headers and libraries for %{name} Group: Development/Libraries -Requires: %{name}-libs = %{version}-%{release} +Requires: %{name}-libs%{?_isa} = %{version}-%{release} %description devel This package contains the header files and static libraries needed to @@ -173,6 +176,9 @@ rm -rf %{buildroot} %changelog +* Mon Dec 23 2013 Susi Lehtola - 2.3.1-24 +- Rebuild against libint. + * Sat Aug 03 2013 Fedora Release Engineering - 2.3.1-23 - Rebuilt for https://fedoraproject.org/wiki/Fedora_20_Mass_Rebuild From 03d8009f728b29a2883c98394348b8dbf0713fb7 Mon Sep 17 00:00:00 2001 From: Susi Lehtola Date: Mon, 23 Dec 2013 22:52:29 +0200 Subject: [PATCH 17/69] Fix build against new ATLAS. --- mpqc.spec | 15 +++++++++++++-- 1 file changed, 13 insertions(+), 2 deletions(-) diff --git a/mpqc.spec b/mpqc.spec index a787809..6f8347b 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -92,11 +92,21 @@ EOF %build export F77=gfortran autoreconf -v -f -i -I lib/autoconf -%configure --enable-shared --enable-threads --disable-static --disable-parallel \ + +# Libraries to use +%if 0%{?fedora} > 20 +lapacklib="-L%{_libdir}/atlas -ltatlas" +%else +lapacklib="-L%{_libdir}/atlas -llapack -lf77blas -latlas" +%endif + +%configure --enable-shared --disable-static \ + --enable-threads --disable-parallel \ --includedir="%{_includedir}/mpqc" \ --with-libdirs="-L%{_libdir}/atlas" \ --with-cxx-optflags="$CXXFLAGS" \ - --with-cc-optflags="$CFLAGS" + --with-cc-optflags="$CFLAGS" \ + --with-libs="$lapacklib" sed -i 's|.rpath .libdir||g' bin/sc-config sed -i 's|^hardcode_libdir_flag_spec=.*|hardcode_libdir_flag_spec=""|g' libtool sed -i 's|^runpath_var=LD_RUN_PATH|runpath_var=DIE_RPATH_DIE|g' libtool @@ -177,6 +187,7 @@ rm -rf %{buildroot} %changelog * Mon Dec 23 2013 Susi Lehtola - 2.3.1-24 +- Fix build against new atlas. - Rebuild against libint. * Sat Aug 03 2013 Fedora Release Engineering - 2.3.1-23 From d5263d464b91e4e4eeafd0eae85fc7911447cbc0 Mon Sep 17 00:00:00 2001 From: Dennis Gilmore Date: Sat, 7 Jun 2014 06:19:05 -0500 Subject: [PATCH 18/69] - Rebuilt for https://fedoraproject.org/wiki/Fedora_21_Mass_Rebuild --- mpqc.spec | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/mpqc.spec b/mpqc.spec index 6f8347b..74b6f2e 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,7 +1,7 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 24%{?dist} +Release: 25%{?dist} License: GPLv2+ and LGPLv2+ Group: Applications/Engineering URL: http://www.mpqc.org/ @@ -186,6 +186,9 @@ rm -rf %{buildroot} %changelog +* Sat Jun 07 2014 Fedora Release Engineering - 2.3.1-25 +- Rebuilt for https://fedoraproject.org/wiki/Fedora_21_Mass_Rebuild + * Mon Dec 23 2013 Susi Lehtola - 2.3.1-24 - Fix build against new atlas. - Rebuild against libint. From 392e16c0c52a1f6cb7fb4f54bf658d3a95f2a94b Mon Sep 17 00:00:00 2001 From: Yaakov Selkowitz Date: Tue, 17 Jun 2014 21:50:09 -0500 Subject: [PATCH 19/69] Fix FTBFS with -Werror=format-security (#1106244) --- mpqc-2.3.1-format-security.patch | 13 +++++++++++++ mpqc.spec | 18 +++++++----------- 2 files changed, 20 insertions(+), 11 deletions(-) create mode 100644 mpqc-2.3.1-format-security.patch diff --git a/mpqc-2.3.1-format-security.patch b/mpqc-2.3.1-format-security.patch new file mode 100644 index 0000000..7f253ff --- /dev/null +++ b/mpqc-2.3.1-format-security.patch @@ -0,0 +1,13 @@ +diff --git a/src/lib/chemistry/molecule/atominfo.cc b/src/lib/chemistry/molecule/atominfo.cc +index de75dcd..a0a60c9 100644 +--- a/src/lib/chemistry/molecule/atominfo.cc ++++ b/src/lib/chemistry/molecule/atominfo.cc +@@ -493,7 +493,7 @@ AtomInfo::string_to_Z(const std::string &name, int allow_exceptions) + if (iname != symbol_to_Z_.end()) return iname->second; + + if (allow_exceptions) { +- ExEnv::err0() << sprintf("AtomInfo: invalid name: %s\n",name.c_str()); ++ ExEnv::err0() << scprintf("AtomInfo: invalid name: %s\n",name.c_str()); + throw std::runtime_error("invalid atom name"); + } + diff --git a/mpqc.spec b/mpqc.spec index 74b6f2e..cda8e69 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,18 +1,18 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 25%{?dist} +Release: 26%{?dist} License: GPLv2+ and LGPLv2+ Group: Applications/Engineering URL: http://www.mpqc.org/ Source: http://downloads.sourceforge.net/mpqc/%{name}-%{version}.tar.bz2 Patch0: mpqc-2.3.1-mdv-fix-wfn-lib.patch +Patch1: mpqc-2.3.1-format-security.patch Requires: %{name}-libs = %{version}-%{release} BuildRequires: libtool flex bison BuildRequires: desktop-file-utils BuildRequires: gcc-gfortran tk doxygen BuildRequires: libint-devel atlas-devel -BuildRoot: %(mktemp -ud %{_tmppath}/%{name}-%{version}-%{release}-XXXXXX) # Libint can have API breakage between releases Requires: libint%{?_isa} = %{_libint_version} @@ -66,6 +66,7 @@ based on mpqc computational chemistry package from Sandia Labs. %prep %setup -q %patch0 -p1 +%patch1 -p1 sed -i -e 's,molrender.in,%{_datadir}/molrender/molrender.in,g' src/bin/molrender/tkmolrender.in sed -i -e 's,prefix/lib,prefix/%{_lib},g' configure.in # fixup for modern autoreconf @@ -117,7 +118,6 @@ make man1 make man3 %install -rm -rf %{buildroot} make installroot="%{buildroot}" INSTALL="install -p" install make installroot="%{buildroot}" INSTALL="install -p" install_devel # rename some man pages with sc_ prefix @@ -138,15 +138,11 @@ sed -i -e "1,1s,^.*$,#!/usr/bin/perl," %{buildroot}%{_bindir}/sc-mkf77sym sed -i -e "1,1s,^.*$,#!/usr/bin/perl -I%{_datadir}/mpqc/${_version}/perl," %{buildroot}%{_bindir}/chkmpqcout chmod 755 %{buildroot}%{_bindir}/chkmpqcout -%clean -rm -rf %{buildroot} - %post libs -p /sbin/ldconfig %postun libs -p /sbin/ldconfig %files -%defattr(-,root,root,-) %doc CHANGES CITATION README %{_bindir}/mpqc %{_bindir}/chkmpqcout @@ -163,21 +159,17 @@ rm -rf %{buildroot} %{_mandir}/man1/molrender* %files data -%defattr(-,root,root,-) %{_datadir}/mpqc %files doc -%defattr(-,root,root,-) %doc doc/html %doc LICENSE COPYING COPYING.LIB %files libs -%defattr(-,root,root) %doc LICENSE COPYING COPYING.LIB %{_libdir}/lib*.so.* %files devel -%defattr(-,root,root,-) %{_bindir}/sc-* %{_libdir}/lib*.so %{_includedir}/mpqc @@ -186,6 +178,10 @@ rm -rf %{buildroot} %changelog +* Tue Jun 17 2014 Yaakov Selkowitz - 2.3.1-26 +- Fix FTBFS with -Werror=format-security (#1106244) +- Update to recent packaging guidelines + * Sat Jun 07 2014 Fedora Release Engineering - 2.3.1-25 - Rebuilt for https://fedoraproject.org/wiki/Fedora_21_Mass_Rebuild From 885256be1707c2170094258e9ab34021e3f4a5a9 Mon Sep 17 00:00:00 2001 From: Peter Robinson Date: Sun, 17 Aug 2014 10:31:03 +0000 Subject: [PATCH 20/69] - Rebuilt for https://fedoraproject.org/wiki/Fedora_21_22_Mass_Rebuild --- mpqc.spec | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/mpqc.spec b/mpqc.spec index cda8e69..6bb31f4 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,7 +1,7 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 26%{?dist} +Release: 27%{?dist} License: GPLv2+ and LGPLv2+ Group: Applications/Engineering URL: http://www.mpqc.org/ @@ -178,6 +178,9 @@ chmod 755 %{buildroot}%{_bindir}/chkmpqcout %changelog +* Sun Aug 17 2014 Fedora Release Engineering - 2.3.1-27 +- Rebuilt for https://fedoraproject.org/wiki/Fedora_21_22_Mass_Rebuild + * Tue Jun 17 2014 Yaakov Selkowitz - 2.3.1-26 - Fix FTBFS with -Werror=format-security (#1106244) - Update to recent packaging guidelines From 288cde6cf20fcef17ef12772d108b889c9b7425f Mon Sep 17 00:00:00 2001 From: Susi Lehtola Date: Wed, 10 Sep 2014 06:43:04 +0200 Subject: [PATCH 21/69] Requires libint(api). --- mpqc.spec | 7 +++++-- 1 file changed, 5 insertions(+), 2 deletions(-) diff --git a/mpqc.spec b/mpqc.spec index 6bb31f4..46d0c78 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,7 +1,7 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 27%{?dist} +Release: 28%{?dist} License: GPLv2+ and LGPLv2+ Group: Applications/Engineering URL: http://www.mpqc.org/ @@ -15,7 +15,7 @@ BuildRequires: gcc-gfortran tk doxygen BuildRequires: libint-devel atlas-devel # Libint can have API breakage between releases -Requires: libint%{?_isa} = %{_libint_version} +Requires: libint(api)%{?_isa} = %{_libint_apiversion} %description MPQC is the Massively Parallel Quantum Chemistry Program. It computes @@ -178,6 +178,9 @@ chmod 755 %{buildroot}%{_bindir}/chkmpqcout %changelog +* Tue Sep 09 2014 Susi Lehtola - 2.3.1-28 +- Requires: libint(api). + * Sun Aug 17 2014 Fedora Release Engineering - 2.3.1-27 - Rebuilt for https://fedoraproject.org/wiki/Fedora_21_22_Mass_Rebuild From ac4cc259f88cf2352b618380878d00fe5b08397e Mon Sep 17 00:00:00 2001 From: Susi Lehtola Date: Thu, 11 Sep 2014 22:54:43 +0200 Subject: [PATCH 22/69] Bump spec. --- mpqc.spec | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/mpqc.spec b/mpqc.spec index 46d0c78..f9cdde8 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,7 +1,7 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 28%{?dist} +Release: 28.1%{?dist} License: GPLv2+ and LGPLv2+ Group: Applications/Engineering URL: http://www.mpqc.org/ @@ -178,6 +178,9 @@ chmod 755 %{buildroot}%{_bindir}/chkmpqcout %changelog +* Thu Sep 11 2014 Susi Lehtola - 2.3.1-28.1 +- Forgot to do buildroot override. + * Tue Sep 09 2014 Susi Lehtola - 2.3.1-28 - Requires: libint(api). From b763caf5fe85a4d38b723b2ef4e6c20fbd443966 Mon Sep 17 00:00:00 2001 From: Susi Lehtola Date: Thu, 11 Sep 2014 23:59:45 +0200 Subject: [PATCH 23/69] Libint require must be in -libs, not main package. --- mpqc.spec | 12 +++++++----- 1 file changed, 7 insertions(+), 5 deletions(-) diff --git a/mpqc.spec b/mpqc.spec index f9cdde8..fd20751 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,22 +1,19 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 28.1%{?dist} +Release: 29%{?dist} License: GPLv2+ and LGPLv2+ Group: Applications/Engineering URL: http://www.mpqc.org/ Source: http://downloads.sourceforge.net/mpqc/%{name}-%{version}.tar.bz2 Patch0: mpqc-2.3.1-mdv-fix-wfn-lib.patch Patch1: mpqc-2.3.1-format-security.patch -Requires: %{name}-libs = %{version}-%{release} +Requires: %{name}-libs%{?_isa} = %{version}-%{release} BuildRequires: libtool flex bison BuildRequires: desktop-file-utils BuildRequires: gcc-gfortran tk doxygen BuildRequires: libint-devel atlas-devel -# Libint can have API breakage between releases -Requires: libint(api)%{?_isa} = %{_libint_apiversion} - %description MPQC is the Massively Parallel Quantum Chemistry Program. It computes properties of atoms and molecules from first principles using the time @@ -47,6 +44,8 @@ with a graphical browser like Mozilla. Summary: Main libraries for %{name} Group: Development/Libraries Requires: %{name}-data = %{version}-%{release} +# Libint can have API breakage between releases +Requires: libint(api)%{?_isa} = %{_libint_apiversion} %description libs This package contains the shared libraries needed to run programs @@ -178,6 +177,9 @@ chmod 755 %{buildroot}%{_bindir}/chkmpqcout %changelog +* Thu Sep 11 2014 Susi Lehtola - 2.3.1-29 +- Libint require needs to be in -libs, not main package. + * Thu Sep 11 2014 Susi Lehtola - 2.3.1-28.1 - Forgot to do buildroot override. From 32ff9f392a28fde280e218c7bd51db936183ebec Mon Sep 17 00:00:00 2001 From: Kalev Lember Date: Sat, 2 May 2015 16:04:23 +0200 Subject: [PATCH 24/69] Rebuilt for GCC 5 C++11 ABI change --- mpqc.spec | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/mpqc.spec b/mpqc.spec index fd20751..941d5e2 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,7 +1,7 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 29%{?dist} +Release: 30%{?dist} License: GPLv2+ and LGPLv2+ Group: Applications/Engineering URL: http://www.mpqc.org/ @@ -177,6 +177,9 @@ chmod 755 %{buildroot}%{_bindir}/chkmpqcout %changelog +* Sat May 02 2015 Kalev Lember - 2.3.1-30 +- Rebuilt for GCC 5 C++11 ABI change + * Thu Sep 11 2014 Susi Lehtola - 2.3.1-29 - Libint require needs to be in -libs, not main package. From 35c2f57738d69abf110a34be83bd78a1b0a48d14 Mon Sep 17 00:00:00 2001 From: Dennis Gilmore Date: Wed, 17 Jun 2015 21:08:29 +0000 Subject: [PATCH 25/69] - Rebuilt for https://fedoraproject.org/wiki/Fedora_23_Mass_Rebuild --- mpqc.spec | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/mpqc.spec b/mpqc.spec index 941d5e2..67b3d26 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,7 +1,7 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 30%{?dist} +Release: 31%{?dist} License: GPLv2+ and LGPLv2+ Group: Applications/Engineering URL: http://www.mpqc.org/ @@ -177,6 +177,9 @@ chmod 755 %{buildroot}%{_bindir}/chkmpqcout %changelog +* Wed Jun 17 2015 Fedora Release Engineering - 2.3.1-31 +- Rebuilt for https://fedoraproject.org/wiki/Fedora_23_Mass_Rebuild + * Sat May 02 2015 Kalev Lember - 2.3.1-30 - Rebuilt for GCC 5 C++11 ABI change From e5a9cc3e3c05980a50419898260e634aa9b83b99 Mon Sep 17 00:00:00 2001 From: Fedora Release Engineering Date: Thu, 4 Feb 2016 08:48:57 +0000 Subject: [PATCH 26/69] - Rebuilt for https://fedoraproject.org/wiki/Fedora_24_Mass_Rebuild --- mpqc.spec | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/mpqc.spec b/mpqc.spec index 67b3d26..b6038cf 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,7 +1,7 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 31%{?dist} +Release: 32%{?dist} License: GPLv2+ and LGPLv2+ Group: Applications/Engineering URL: http://www.mpqc.org/ @@ -177,6 +177,9 @@ chmod 755 %{buildroot}%{_bindir}/chkmpqcout %changelog +* Thu Feb 04 2016 Fedora Release Engineering - 2.3.1-32 +- Rebuilt for https://fedoraproject.org/wiki/Fedora_24_Mass_Rebuild + * Wed Jun 17 2015 Fedora Release Engineering - 2.3.1-31 - Rebuilt for https://fedoraproject.org/wiki/Fedora_23_Mass_Rebuild From 4620b04372da3badea1618ab9e521946e2d11311 Mon Sep 17 00:00:00 2001 From: Mamoru TASAKA Date: Sun, 24 Apr 2016 18:17:20 +0900 Subject: [PATCH 27/69] C++11 build fix by using constexpr --- mpqc-2.3.1-cpp11-constexpr.patch | 17 +++++++++++++++++ mpqc.spec | 8 +++++++- 2 files changed, 24 insertions(+), 1 deletion(-) create mode 100644 mpqc-2.3.1-cpp11-constexpr.patch diff --git a/mpqc-2.3.1-cpp11-constexpr.patch b/mpqc-2.3.1-cpp11-constexpr.patch new file mode 100644 index 0000000..66ba4ac --- /dev/null +++ b/mpqc-2.3.1-cpp11-constexpr.patch @@ -0,0 +1,17 @@ +--- mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/transform_tbint.h.cpp11 2005-07-12 07:52:34.000000000 +0900 ++++ mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/transform_tbint.h 2016-04-24 18:02:54.275499008 +0900 +@@ -61,7 +61,13 @@ class TwoBodyMOIntsTransform : virtual p + protected: + /** By default, integrals smaller than zero_integral are considered zero. + This constant is only used in checking integrals, not computing them. */ +- static const double zero_integral = 1.0e-12; ++ static ++#if __cplusplus >= 201103L ++ constexpr ++#else ++ const ++#endif ++ double zero_integral = 1.0e-12; + /// Predefined enumerated type for the MO spaces + typedef struct { + enum {Space1, Space2, Space3, Space4}; diff --git a/mpqc.spec b/mpqc.spec index b6038cf..12bc35e 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,13 +1,15 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 32%{?dist} +Release: 33%{?dist} License: GPLv2+ and LGPLv2+ Group: Applications/Engineering URL: http://www.mpqc.org/ Source: http://downloads.sourceforge.net/mpqc/%{name}-%{version}.tar.bz2 Patch0: mpqc-2.3.1-mdv-fix-wfn-lib.patch Patch1: mpqc-2.3.1-format-security.patch +# C++11 build fix +Patch2: mpqc-2.3.1-cpp11-constexpr.patch Requires: %{name}-libs%{?_isa} = %{version}-%{release} BuildRequires: libtool flex bison BuildRequires: desktop-file-utils @@ -66,6 +68,7 @@ based on mpqc computational chemistry package from Sandia Labs. %setup -q %patch0 -p1 %patch1 -p1 +%patch2 -p1 -b .cpp11 sed -i -e 's,molrender.in,%{_datadir}/molrender/molrender.in,g' src/bin/molrender/tkmolrender.in sed -i -e 's,prefix/lib,prefix/%{_lib},g' configure.in # fixup for modern autoreconf @@ -177,6 +180,9 @@ chmod 755 %{buildroot}%{_bindir}/chkmpqcout %changelog +* Sun Apr 24 2016 Mamoru TASAKA - 2.3.1-33 +- C++11 build fix by using constexpr + * Thu Feb 04 2016 Fedora Release Engineering - 2.3.1-32 - Rebuilt for https://fedoraproject.org/wiki/Fedora_24_Mass_Rebuild From bc7f15d299ed36acb0959ab1ba084ec3fabe0e04 Mon Sep 17 00:00:00 2001 From: Mamoru TASAKA Date: Fri, 6 May 2016 14:18:02 +0900 Subject: [PATCH 28/69] add patch to git tree instead of putting into source --- mpqc-2.3.1-mdv-fix-wfn-lib.patch | 29 +++++++++++++++++++++++++++++ 1 file changed, 29 insertions(+) create mode 100644 mpqc-2.3.1-mdv-fix-wfn-lib.patch diff --git a/mpqc-2.3.1-mdv-fix-wfn-lib.patch b/mpqc-2.3.1-mdv-fix-wfn-lib.patch new file mode 100644 index 0000000..ab6b0a8 --- /dev/null +++ b/mpqc-2.3.1-mdv-fix-wfn-lib.patch @@ -0,0 +1,29 @@ +--- a/bin/listlibs.pl 2009-10-15 17:28:45.000000000 +0200 ++++ b/bin/listlibs.pl 2009-10-15 17:33:35.000000000 +0200 +@@ -183,7 +183,7 @@ + sub process_directory { + local ($dir) = shift; + opendir(DIR,"$dir"); +- local (@files) = readdir(DIR); ++ local (@files) = sort readdir(DIR); + closedir(DIR); + local ($i); + foreach $i (@files) { +--- a/src/lib/chemistry/qc/dft/LIBS.h 2002-01-09 01:07:14.000000000 -0500 ++++ b/src/lib/chemistry/qc/dft/LIBS.h 2009-10-14 12:03:34.000000000 -0400 +@@ -1,6 +1,5 @@ + libSCdft.LIBSUF + #include +-#include + #include + #include + +--- a/src/lib/chemistry/qc/scf/LIBS.h 2002-01-09 07:07:15.000000000 +0100 ++++ b/src/lib/chemistry/qc/scf/LIBS.h 2009-10-15 19:39:22.000000000 +0200 +@@ -1,6 +1,5 @@ + libSCscf.LIBSUF + #include +-#include + #include + #include + #include From 2356a0c0c0def0c892560ce245b2d8930cf82e8a Mon Sep 17 00:00:00 2001 From: Mamoru TASAKA Date: Fri, 6 May 2016 14:18:19 +0900 Subject: [PATCH 29/69] and the rest --- .gitignore | 1 - sources | 1 - 2 files changed, 2 deletions(-) diff --git a/.gitignore b/.gitignore index 25a593d..c8af45e 100644 --- a/.gitignore +++ b/.gitignore @@ -1,2 +1 @@ -mpqc-2.3.1-mdv-fix-wfn-lib.patch mpqc-2.3.1.tar.bz2 diff --git a/sources b/sources index a687b30..d010396 100644 --- a/sources +++ b/sources @@ -1,2 +1 @@ -5d74696a11ee9231e8b9078803ffad7e mpqc-2.3.1-mdv-fix-wfn-lib.patch 2f9b4f7487387730d78066a53764f848 mpqc-2.3.1.tar.bz2 From ad122ad9cbca8fd3239c45bf1cfc003296ad57d7 Mon Sep 17 00:00:00 2001 From: Mamoru TASAKA Date: Fri, 6 May 2016 16:18:55 +0900 Subject: [PATCH 30/69] Fix up sc-config all_sclibs - Rename arch-dependent scripts into arch-dependent names - Kill -doc dependency from -data --- bash-script-noarch | 3 +++ mpqc.spec | 34 +++++++++++++++++++++++++++++----- 2 files changed, 32 insertions(+), 5 deletions(-) create mode 100755 bash-script-noarch diff --git a/bash-script-noarch b/bash-script-noarch new file mode 100755 index 0000000..f1bfefd --- /dev/null +++ b/bash-script-noarch @@ -0,0 +1,3 @@ +#!/bin/sh + +exec @BINARY@-$(arch) "$@" diff --git a/mpqc.spec b/mpqc.spec index 12bc35e..933f204 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,11 +1,12 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 33%{?dist} +Release: 33.100%{?dist} License: GPLv2+ and LGPLv2+ Group: Applications/Engineering URL: http://www.mpqc.org/ -Source: http://downloads.sourceforge.net/mpqc/%{name}-%{version}.tar.bz2 +Source0: http://downloads.sourceforge.net/mpqc/%{name}-%{version}.tar.bz2 +Source1: bash-script-noarch Patch0: mpqc-2.3.1-mdv-fix-wfn-lib.patch Patch1: mpqc-2.3.1-format-security.patch # C++11 build fix @@ -27,7 +28,7 @@ oriented, using the C++ programming language. %package data Summary: Atom info and basis sets from MPQC Group: Applications/Engineering -Requires: %{name}-doc = %{version}-%{release} +#Requires: %{name}-doc = %{version}-%{release} BuildArch: noarch %description data @@ -140,6 +141,24 @@ sed -i -e "1,1s,^.*$,#!/usr/bin/perl," %{buildroot}%{_bindir}/sc-mkf77sym sed -i -e "1,1s,^.*$,#!/usr/bin/perl -I%{_datadir}/mpqc/${_version}/perl," %{buildroot}%{_bindir}/chkmpqcout chmod 755 %{buildroot}%{_bindir}/chkmpqcout +# Fix up sc-config all_libs +sed -i %{buildroot}%{_bindir}/sc-config \ + -e 's|^LIBSUF=la$|LIBSUF=so|' \ + -e '\@all_sclibs@s|\(lib[^ \t][^ \t]*\)\.la|\1.so|g' \ + -e 's|-L[^ \t]*gcc[^ \t]*||g' \ + %{nil} + +# And rename arch-dependent script to arch-dependent name +for f in \ + sc-config \ + sc-libtool \ + %{nil} +do + mv %{buildroot}%{_bindir}/${f}{,-$(arch)} + cat %{SOURCE1} | sed -e "s|@BINARY@|$f|" > %{buildroot}%{_bindir}/${f} + chmod 0755 %{buildroot}%{_bindir}/${f} +done + %post libs -p /sbin/ldconfig %postun libs -p /sbin/ldconfig @@ -162,13 +181,13 @@ chmod 755 %{buildroot}%{_bindir}/chkmpqcout %files data %{_datadir}/mpqc +%license LICENSE COPYING COPYING.LIB %files doc %doc doc/html -%doc LICENSE COPYING COPYING.LIB +%license LICENSE COPYING COPYING.LIB %files libs -%doc LICENSE COPYING COPYING.LIB %{_libdir}/lib*.so.* %files devel @@ -180,6 +199,11 @@ chmod 755 %{buildroot}%{_bindir}/chkmpqcout %changelog +* Fri May 6 2016 Mamoru TASAKA - 2.3.1-34 +- Fix up sc-config all_sclibs +- Rename arch-dependent scripts into arch-dependent names +- Kill -doc dependency from -data + * Sun Apr 24 2016 Mamoru TASAKA - 2.3.1-33 - C++11 build fix by using constexpr From 5afb92453ab0ca09797a41e3eb68cb05a780328f Mon Sep 17 00:00:00 2001 From: Mamoru TASAKA Date: Fri, 6 May 2016 16:23:20 +0900 Subject: [PATCH 31/69] fix release --- mpqc.spec | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/mpqc.spec b/mpqc.spec index 933f204..eae5ec4 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,7 +1,7 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 33.100%{?dist} +Release: 34%{?dist} License: GPLv2+ and LGPLv2+ Group: Applications/Engineering URL: http://www.mpqc.org/ From e17af582149055dc89023e2c15397067c047c7b1 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Petr=20P=C3=ADsa=C5=99?= Date: Fri, 24 Jun 2016 10:06:32 +0200 Subject: [PATCH 32/69] Mandatory Perl build-requires added --- mpqc.spec | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/mpqc.spec b/mpqc.spec index eae5ec4..4a7bf89 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -14,7 +14,7 @@ Patch2: mpqc-2.3.1-cpp11-constexpr.patch Requires: %{name}-libs%{?_isa} = %{version}-%{release} BuildRequires: libtool flex bison BuildRequires: desktop-file-utils -BuildRequires: gcc-gfortran tk doxygen +BuildRequires: gcc-gfortran perl-generators tk doxygen BuildRequires: libint-devel atlas-devel %description From 12ba96dedf0f78042258023da173d3c55e6751d0 Mon Sep 17 00:00:00 2001 From: Mamoru TASAKA Date: Tue, 31 Jan 2017 08:14:05 +0900 Subject: [PATCH 33/69] F-26: rebuild against gfortran 7 --- mpqc.spec | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/mpqc.spec b/mpqc.spec index 4a7bf89..82e892c 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,7 +1,7 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 34%{?dist} +Release: 35%{?dist} License: GPLv2+ and LGPLv2+ Group: Applications/Engineering URL: http://www.mpqc.org/ @@ -199,6 +199,9 @@ done %changelog +* Mon Jan 30 2017 Mamoru TASAKA - 2.3.1-35 +- F-26: rebuild against gfortran 7 + * Fri May 6 2016 Mamoru TASAKA - 2.3.1-34 - Fix up sc-config all_sclibs - Rename arch-dependent scripts into arch-dependent names From 19fbd8109dd708d974b039e17e08353cd675b545 Mon Sep 17 00:00:00 2001 From: Fedora Release Engineering Date: Fri, 10 Feb 2017 21:46:49 +0000 Subject: [PATCH 34/69] - Rebuilt for https://fedoraproject.org/wiki/Fedora_26_Mass_Rebuild --- mpqc.spec | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/mpqc.spec b/mpqc.spec index 82e892c..0c6a26b 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,7 +1,7 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 35%{?dist} +Release: 36%{?dist} License: GPLv2+ and LGPLv2+ Group: Applications/Engineering URL: http://www.mpqc.org/ @@ -199,6 +199,9 @@ done %changelog +* Fri Feb 10 2017 Fedora Release Engineering - 2.3.1-36 +- Rebuilt for https://fedoraproject.org/wiki/Fedora_26_Mass_Rebuild + * Mon Jan 30 2017 Mamoru TASAKA - 2.3.1-35 - F-26: rebuild against gfortran 7 From 0c993ab25195906d523f05679d973c3904da7173 Mon Sep 17 00:00:00 2001 From: Fedora Release Engineering Date: Mon, 15 May 2017 21:09:20 +0000 Subject: [PATCH 35/69] - Rebuilt for https://fedoraproject.org/wiki/Fedora_26_27_Mass_Rebuild --- mpqc.spec | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/mpqc.spec b/mpqc.spec index 0c6a26b..46332a3 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,7 +1,7 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 36%{?dist} +Release: 37%{?dist} License: GPLv2+ and LGPLv2+ Group: Applications/Engineering URL: http://www.mpqc.org/ @@ -199,6 +199,9 @@ done %changelog +* Mon May 15 2017 Fedora Release Engineering - 2.3.1-37 +- Rebuilt for https://fedoraproject.org/wiki/Fedora_26_27_Mass_Rebuild + * Fri Feb 10 2017 Fedora Release Engineering - 2.3.1-36 - Rebuilt for https://fedoraproject.org/wiki/Fedora_26_Mass_Rebuild From aef685f73bf6bdde0e401d984a29c797c84a0fff Mon Sep 17 00:00:00 2001 From: Fedora Release Engineering Date: Wed, 26 Jul 2017 22:21:20 +0000 Subject: [PATCH 36/69] - Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Mass_Rebuild --- mpqc.spec | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/mpqc.spec b/mpqc.spec index 46332a3..f518716 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,7 +1,7 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 37%{?dist} +Release: 38%{?dist} License: GPLv2+ and LGPLv2+ Group: Applications/Engineering URL: http://www.mpqc.org/ @@ -199,6 +199,9 @@ done %changelog +* Wed Jul 26 2017 Fedora Release Engineering - 2.3.1-38 +- Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Mass_Rebuild + * Mon May 15 2017 Fedora Release Engineering - 2.3.1-37 - Rebuilt for https://fedoraproject.org/wiki/Fedora_26_27_Mass_Rebuild From 3994ded60505225b2cf5548e20966df9cdc414c5 Mon Sep 17 00:00:00 2001 From: Fedora Release Engineering Date: Thu, 3 Aug 2017 03:37:52 +0000 Subject: [PATCH 37/69] - Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Binutils_Mass_Rebuild --- mpqc.spec | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/mpqc.spec b/mpqc.spec index f518716..72fc53c 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,7 +1,7 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 38%{?dist} +Release: 39%{?dist} License: GPLv2+ and LGPLv2+ Group: Applications/Engineering URL: http://www.mpqc.org/ @@ -199,6 +199,9 @@ done %changelog +* Thu Aug 03 2017 Fedora Release Engineering - 2.3.1-39 +- Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Binutils_Mass_Rebuild + * Wed Jul 26 2017 Fedora Release Engineering - 2.3.1-38 - Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Mass_Rebuild From a87be8328dbabcfff140a0e18815991dec023bbd Mon Sep 17 00:00:00 2001 From: Mamoru TASAKA Date: Wed, 31 Jan 2018 18:48:22 +0900 Subject: [PATCH 38/69] F-28: rebuild against gfortran 8 --- mpqc.spec | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/mpqc.spec b/mpqc.spec index 72fc53c..3d1ea8b 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,7 +1,7 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 39%{?dist} +Release: 40%{?dist} License: GPLv2+ and LGPLv2+ Group: Applications/Engineering URL: http://www.mpqc.org/ @@ -199,6 +199,9 @@ done %changelog +* Wed Jan 31 2018 Mamoru TASAKA - 2.3.1-40 +- F-28: rebuild against gfortran 8 + * Thu Aug 03 2017 Fedora Release Engineering - 2.3.1-39 - Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Binutils_Mass_Rebuild From df39224283d70a3a5f1126dda0a428674e7a1857 Mon Sep 17 00:00:00 2001 From: Fedora Release Engineering Date: Thu, 8 Feb 2018 03:23:13 +0000 Subject: [PATCH 39/69] - Rebuilt for https://fedoraproject.org/wiki/Fedora_28_Mass_Rebuild Signed-off-by: Fedora Release Engineering --- mpqc.spec | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/mpqc.spec b/mpqc.spec index 3d1ea8b..33223d2 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,7 +1,7 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 40%{?dist} +Release: 41%{?dist} License: GPLv2+ and LGPLv2+ Group: Applications/Engineering URL: http://www.mpqc.org/ @@ -199,6 +199,9 @@ done %changelog +* Thu Feb 08 2018 Fedora Release Engineering - 2.3.1-41 +- Rebuilt for https://fedoraproject.org/wiki/Fedora_28_Mass_Rebuild + * Wed Jan 31 2018 Mamoru TASAKA - 2.3.1-40 - F-28: rebuild against gfortran 8 From 9a38bde7bae4d8c886c6ffce44fc60467ac9f29d Mon Sep 17 00:00:00 2001 From: Fedora Release Engineering Date: Fri, 13 Jul 2018 11:06:56 +0000 Subject: [PATCH 40/69] - Rebuilt for https://fedoraproject.org/wiki/Fedora_29_Mass_Rebuild Signed-off-by: Fedora Release Engineering --- mpqc.spec | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/mpqc.spec b/mpqc.spec index 33223d2..9b81ef8 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,7 +1,7 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 41%{?dist} +Release: 42%{?dist} License: GPLv2+ and LGPLv2+ Group: Applications/Engineering URL: http://www.mpqc.org/ @@ -199,6 +199,9 @@ done %changelog +* Fri Jul 13 2018 Fedora Release Engineering - 2.3.1-42 +- Rebuilt for https://fedoraproject.org/wiki/Fedora_29_Mass_Rebuild + * Thu Feb 08 2018 Fedora Release Engineering - 2.3.1-41 - Rebuilt for https://fedoraproject.org/wiki/Fedora_28_Mass_Rebuild From 3e19ed6b4500cc3df9c65ab7488a1df79926970e Mon Sep 17 00:00:00 2001 From: Mamoru TASAKA Date: Sun, 15 Jul 2018 18:00:36 +0900 Subject: [PATCH 41/69] compiler --- mpqc.spec | 1 + 1 file changed, 1 insertion(+) diff --git a/mpqc.spec b/mpqc.spec index 9b81ef8..ac3a588 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -12,6 +12,7 @@ Patch1: mpqc-2.3.1-format-security.patch # C++11 build fix Patch2: mpqc-2.3.1-cpp11-constexpr.patch Requires: %{name}-libs%{?_isa} = %{version}-%{release} +BuildRequires: gcc-c++ BuildRequires: libtool flex bison BuildRequires: desktop-file-utils BuildRequires: gcc-gfortran perl-generators tk doxygen From c93914a8a41ae3d28d39c64ce9c851ca7e78503e Mon Sep 17 00:00:00 2001 From: Igor Gnatenko Date: Tue, 22 Jan 2019 18:40:27 +0100 Subject: [PATCH 42/69] Remove obsolete ldconfig scriptlets References: https://fedoraproject.org/wiki/Changes/RemoveObsoleteScriptlets Signed-off-by: Igor Gnatenko --- mpqc.spec | 4 +--- 1 file changed, 1 insertion(+), 3 deletions(-) diff --git a/mpqc.spec b/mpqc.spec index ac3a588..abbeba5 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -160,9 +160,7 @@ do chmod 0755 %{buildroot}%{_bindir}/${f} done -%post libs -p /sbin/ldconfig - -%postun libs -p /sbin/ldconfig +%ldconfig_scriptlets libs %files %doc CHANGES CITATION README From 1e9b0b872753384306e57a49ddf6f79adb699cc4 Mon Sep 17 00:00:00 2001 From: Igor Gnatenko Date: Mon, 28 Jan 2019 20:17:55 +0100 Subject: [PATCH 43/69] Remove obsolete Group tag References: https://fedoraproject.org/wiki/Changes/Remove_Group_Tag --- mpqc.spec | 5 ----- 1 file changed, 5 deletions(-) diff --git a/mpqc.spec b/mpqc.spec index abbeba5..f69d26e 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -3,7 +3,6 @@ Summary: Ab-inito chemistry program Version: 2.3.1 Release: 42%{?dist} License: GPLv2+ and LGPLv2+ -Group: Applications/Engineering URL: http://www.mpqc.org/ Source0: http://downloads.sourceforge.net/mpqc/%{name}-%{version}.tar.bz2 Source1: bash-script-noarch @@ -28,7 +27,6 @@ oriented, using the C++ programming language. %package data Summary: Atom info and basis sets from MPQC -Group: Applications/Engineering #Requires: %{name}-doc = %{version}-%{release} BuildArch: noarch @@ -37,7 +35,6 @@ Atom info and basis sets from MPQC. %package doc Summary: HTML documentation for MPQC -Group: Applications/Engineering BuildArch: noarch %description doc @@ -46,7 +43,6 @@ with a graphical browser like Mozilla. %package libs Summary: Main libraries for %{name} -Group: Development/Libraries Requires: %{name}-data = %{version}-%{release} # Libint can have API breakage between releases Requires: libint(api)%{?_isa} = %{_libint_apiversion} @@ -58,7 +54,6 @@ based on mpqc computational chemistry package from Sandia Labs. %package devel Summary: Development headers and libraries for %{name} -Group: Development/Libraries Requires: %{name}-libs%{?_isa} = %{version}-%{release} %description devel From 799224ab00c19ebad3f76174c9fc4fa8b8056e08 Mon Sep 17 00:00:00 2001 From: Fedora Release Engineering Date: Fri, 1 Feb 2019 11:35:49 +0000 Subject: [PATCH 44/69] - Rebuilt for https://fedoraproject.org/wiki/Fedora_30_Mass_Rebuild Signed-off-by: Fedora Release Engineering --- mpqc.spec | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/mpqc.spec b/mpqc.spec index f69d26e..4f37588 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,7 +1,7 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 42%{?dist} +Release: 43%{?dist} License: GPLv2+ and LGPLv2+ URL: http://www.mpqc.org/ Source0: http://downloads.sourceforge.net/mpqc/%{name}-%{version}.tar.bz2 @@ -193,6 +193,9 @@ done %changelog +* Fri Feb 01 2019 Fedora Release Engineering - 2.3.1-43 +- Rebuilt for https://fedoraproject.org/wiki/Fedora_30_Mass_Rebuild + * Fri Jul 13 2018 Fedora Release Engineering - 2.3.1-42 - Rebuilt for https://fedoraproject.org/wiki/Fedora_29_Mass_Rebuild From cefa59406a2f18890399e1109e815e00cd9e8b5f Mon Sep 17 00:00:00 2001 From: Fedora Release Engineering Date: Thu, 25 Jul 2019 17:49:51 +0000 Subject: [PATCH 45/69] - Rebuilt for https://fedoraproject.org/wiki/Fedora_31_Mass_Rebuild Signed-off-by: Fedora Release Engineering --- mpqc.spec | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/mpqc.spec b/mpqc.spec index 4f37588..df48741 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,7 +1,7 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 43%{?dist} +Release: 44%{?dist} License: GPLv2+ and LGPLv2+ URL: http://www.mpqc.org/ Source0: http://downloads.sourceforge.net/mpqc/%{name}-%{version}.tar.bz2 @@ -193,6 +193,9 @@ done %changelog +* Thu Jul 25 2019 Fedora Release Engineering - 2.3.1-44 +- Rebuilt for https://fedoraproject.org/wiki/Fedora_31_Mass_Rebuild + * Fri Feb 01 2019 Fedora Release Engineering - 2.3.1-43 - Rebuilt for https://fedoraproject.org/wiki/Fedora_30_Mass_Rebuild From 44c5911b4011db97d67abc58e1aff756d4ff0a68 Mon Sep 17 00:00:00 2001 From: Fedora Release Engineering Date: Wed, 29 Jan 2020 14:11:21 +0000 Subject: [PATCH 46/69] - Rebuilt for https://fedoraproject.org/wiki/Fedora_32_Mass_Rebuild Signed-off-by: Fedora Release Engineering --- mpqc.spec | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/mpqc.spec b/mpqc.spec index df48741..bba83c3 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,7 +1,7 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 44%{?dist} +Release: 45%{?dist} License: GPLv2+ and LGPLv2+ URL: http://www.mpqc.org/ Source0: http://downloads.sourceforge.net/mpqc/%{name}-%{version}.tar.bz2 @@ -193,6 +193,9 @@ done %changelog +* Wed Jan 29 2020 Fedora Release Engineering - 2.3.1-45 +- Rebuilt for https://fedoraproject.org/wiki/Fedora_32_Mass_Rebuild + * Thu Jul 25 2019 Fedora Release Engineering - 2.3.1-44 - Rebuilt for https://fedoraproject.org/wiki/Fedora_31_Mass_Rebuild From 833e81dbd801a89fb7001f3f019011fcae7f8cdc Mon Sep 17 00:00:00 2001 From: Jeff Law Date: Mon, 27 Jul 2020 22:50:09 -0600 Subject: [PATCH 47/69] Use C++14 as this code is not C++17 ready --- mpqc.spec | 6 +++++- 1 file changed, 5 insertions(+), 1 deletion(-) diff --git a/mpqc.spec b/mpqc.spec index bba83c3..08dceb4 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,7 +1,7 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 45%{?dist} +Release: 46%{?dist} License: GPLv2+ and LGPLv2+ URL: http://www.mpqc.org/ Source0: http://downloads.sourceforge.net/mpqc/%{name}-%{version}.tar.bz2 @@ -90,6 +90,7 @@ Version=1.0 EOF %build +export CXXFLAGS="-std=c++14 $RPM_OPT_FLAGS" export F77=gfortran autoreconf -v -f -i -I lib/autoconf @@ -193,6 +194,9 @@ done %changelog +* Mon Jul 27 2020 Jeff Law - 2.3.1-46 +- Use C++14 as this code is not C++17 ready + * Wed Jan 29 2020 Fedora Release Engineering - 2.3.1-45 - Rebuilt for https://fedoraproject.org/wiki/Fedora_32_Mass_Rebuild From b3f0f28b54d96307612f6ff411d59af6125c576f Mon Sep 17 00:00:00 2001 From: Fedora Release Engineering Date: Tue, 28 Jul 2020 08:32:50 +0000 Subject: [PATCH 48/69] - Rebuilt for https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild Signed-off-by: Fedora Release Engineering --- mpqc.spec | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/mpqc.spec b/mpqc.spec index 08dceb4..3775633 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,7 +1,7 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 46%{?dist} +Release: 47%{?dist} License: GPLv2+ and LGPLv2+ URL: http://www.mpqc.org/ Source0: http://downloads.sourceforge.net/mpqc/%{name}-%{version}.tar.bz2 @@ -194,6 +194,9 @@ done %changelog +* Tue Jul 28 2020 Fedora Release Engineering - 2.3.1-47 +- Rebuilt for https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild + * Mon Jul 27 2020 Jeff Law - 2.3.1-46 - Use C++14 as this code is not C++17 ready From fdf21db40cd5a0ca6610c3ba68c9da03c1a93cde Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?I=C3=B1aki=20=C3=9Acar?= Date: Thu, 20 Aug 2020 14:53:08 +0200 Subject: [PATCH 49/69] https://fedoraproject.org/wiki/Changes/FlexiBLAS_as_BLAS/LAPACK_manager --- mpqc.spec | 18 +++++++----------- 1 file changed, 7 insertions(+), 11 deletions(-) diff --git a/mpqc.spec b/mpqc.spec index 3775633..320641f 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,7 +1,7 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 47%{?dist} +Release: 48%{?dist} License: GPLv2+ and LGPLv2+ URL: http://www.mpqc.org/ Source0: http://downloads.sourceforge.net/mpqc/%{name}-%{version}.tar.bz2 @@ -15,7 +15,8 @@ BuildRequires: gcc-c++ BuildRequires: libtool flex bison BuildRequires: desktop-file-utils BuildRequires: gcc-gfortran perl-generators tk doxygen -BuildRequires: libint-devel atlas-devel +BuildRequires: libint-devel +BuildRequires: flexiblas-devel %description MPQC is the Massively Parallel Quantum Chemistry Program. It computes @@ -94,20 +95,12 @@ export CXXFLAGS="-std=c++14 $RPM_OPT_FLAGS" export F77=gfortran autoreconf -v -f -i -I lib/autoconf -# Libraries to use -%if 0%{?fedora} > 20 -lapacklib="-L%{_libdir}/atlas -ltatlas" -%else -lapacklib="-L%{_libdir}/atlas -llapack -lf77blas -latlas" -%endif - %configure --enable-shared --disable-static \ --enable-threads --disable-parallel \ --includedir="%{_includedir}/mpqc" \ - --with-libdirs="-L%{_libdir}/atlas" \ --with-cxx-optflags="$CXXFLAGS" \ --with-cc-optflags="$CFLAGS" \ - --with-libs="$lapacklib" + --with-libs="-lflexiblas" sed -i 's|.rpath .libdir||g' bin/sc-config sed -i 's|^hardcode_libdir_flag_spec=.*|hardcode_libdir_flag_spec=""|g' libtool sed -i 's|^runpath_var=LD_RUN_PATH|runpath_var=DIE_RPATH_DIE|g' libtool @@ -194,6 +187,9 @@ done %changelog +* Sun Aug 16 2020 Iñaki Úcar - 2.3.1-48 +- https://fedoraproject.org/wiki/Changes/FlexiBLAS_as_BLAS/LAPACK_manager + * Tue Jul 28 2020 Fedora Release Engineering - 2.3.1-47 - Rebuilt for https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild From 5790d5ce5a5047b42752142d15884fb5df86a203 Mon Sep 17 00:00:00 2001 From: Tom Stellard Date: Thu, 7 Jan 2021 02:04:45 +0000 Subject: [PATCH 50/69] Add BuildRequires: make https://fedoraproject.org/wiki/Changes/Remove_make_from_BuildRoot --- mpqc.spec | 1 + 1 file changed, 1 insertion(+) diff --git a/mpqc.spec b/mpqc.spec index 320641f..8049eb7 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -11,6 +11,7 @@ Patch1: mpqc-2.3.1-format-security.patch # C++11 build fix Patch2: mpqc-2.3.1-cpp11-constexpr.patch Requires: %{name}-libs%{?_isa} = %{version}-%{release} +BuildRequires: make BuildRequires: gcc-c++ BuildRequires: libtool flex bison BuildRequires: desktop-file-utils From 84195038673c16d8b9acf0c1f699236b2a63ce6a Mon Sep 17 00:00:00 2001 From: Fedora Release Engineering Date: Tue, 26 Jan 2021 20:54:57 +0000 Subject: [PATCH 51/69] - Rebuilt for https://fedoraproject.org/wiki/Fedora_34_Mass_Rebuild Signed-off-by: Fedora Release Engineering --- mpqc.spec | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/mpqc.spec b/mpqc.spec index 8049eb7..07823a2 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,7 +1,7 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 48%{?dist} +Release: 49%{?dist} License: GPLv2+ and LGPLv2+ URL: http://www.mpqc.org/ Source0: http://downloads.sourceforge.net/mpqc/%{name}-%{version}.tar.bz2 @@ -188,6 +188,9 @@ done %changelog +* Tue Jan 26 2021 Fedora Release Engineering - 2.3.1-49 +- Rebuilt for https://fedoraproject.org/wiki/Fedora_34_Mass_Rebuild + * Sun Aug 16 2020 Iñaki Úcar - 2.3.1-48 - https://fedoraproject.org/wiki/Changes/FlexiBLAS_as_BLAS/LAPACK_manager From cab6da22d4ade14af8f32c7572f5045fa176ca7e Mon Sep 17 00:00:00 2001 From: Fedora Release Engineering Date: Thu, 22 Jul 2021 15:29:31 +0000 Subject: [PATCH 52/69] - Rebuilt for https://fedoraproject.org/wiki/Fedora_35_Mass_Rebuild Signed-off-by: Fedora Release Engineering --- mpqc.spec | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/mpqc.spec b/mpqc.spec index 07823a2..f4fab40 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,7 +1,7 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 49%{?dist} +Release: 50%{?dist} License: GPLv2+ and LGPLv2+ URL: http://www.mpqc.org/ Source0: http://downloads.sourceforge.net/mpqc/%{name}-%{version}.tar.bz2 @@ -188,6 +188,9 @@ done %changelog +* Thu Jul 22 2021 Fedora Release Engineering - 2.3.1-50 +- Rebuilt for https://fedoraproject.org/wiki/Fedora_35_Mass_Rebuild + * Tue Jan 26 2021 Fedora Release Engineering - 2.3.1-49 - Rebuilt for https://fedoraproject.org/wiki/Fedora_34_Mass_Rebuild From 9aad20d6a16a8deeceed6031208d772c1304c294 Mon Sep 17 00:00:00 2001 From: Fedora Release Engineering Date: Thu, 20 Jan 2022 20:32:22 +0000 Subject: [PATCH 53/69] - Rebuilt for https://fedoraproject.org/wiki/Fedora_36_Mass_Rebuild Signed-off-by: Fedora Release Engineering --- mpqc.spec | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/mpqc.spec b/mpqc.spec index f4fab40..46d9d29 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,7 +1,7 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 50%{?dist} +Release: 51%{?dist} License: GPLv2+ and LGPLv2+ URL: http://www.mpqc.org/ Source0: http://downloads.sourceforge.net/mpqc/%{name}-%{version}.tar.bz2 @@ -188,6 +188,9 @@ done %changelog +* Thu Jan 20 2022 Fedora Release Engineering - 2.3.1-51 +- Rebuilt for https://fedoraproject.org/wiki/Fedora_36_Mass_Rebuild + * Thu Jul 22 2021 Fedora Release Engineering - 2.3.1-50 - Rebuilt for https://fedoraproject.org/wiki/Fedora_35_Mass_Rebuild From 1c185be4a2ac967b4ba577940fcc530011739821 Mon Sep 17 00:00:00 2001 From: Fedora Release Engineering Date: Thu, 21 Jul 2022 23:51:29 +0000 Subject: [PATCH 54/69] Rebuilt for https://fedoraproject.org/wiki/Fedora_37_Mass_Rebuild Signed-off-by: Fedora Release Engineering --- mpqc.spec | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/mpqc.spec b/mpqc.spec index 46d9d29..eacf34c 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,7 +1,7 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 51%{?dist} +Release: 52%{?dist} License: GPLv2+ and LGPLv2+ URL: http://www.mpqc.org/ Source0: http://downloads.sourceforge.net/mpqc/%{name}-%{version}.tar.bz2 @@ -188,6 +188,9 @@ done %changelog +* Thu Jul 21 2022 Fedora Release Engineering - 2.3.1-52 +- Rebuilt for https://fedoraproject.org/wiki/Fedora_37_Mass_Rebuild + * Thu Jan 20 2022 Fedora Release Engineering - 2.3.1-51 - Rebuilt for https://fedoraproject.org/wiki/Fedora_36_Mass_Rebuild From ff01f33218267f740f4843d08a231b8c2184b958 Mon Sep 17 00:00:00 2001 From: Mamoru TASAKA Date: Sun, 27 Nov 2022 22:06:00 +0900 Subject: [PATCH 55/69] Make configure (wrt Fortran symbol detection) c99 conformant for -Werror=implicit-int -Werror=implicit-function-declaration wrt https://fedoraproject.org/wiki/Toolchain/PortingToModernC https://fedoraproject.org/wiki/Changes/PortingToModernC --- mpqc.spec | 8 +++++++- 1 file changed, 7 insertions(+), 1 deletion(-) diff --git a/mpqc.spec b/mpqc.spec index eacf34c..519b716 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,7 +1,7 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 52%{?dist} +Release: 53%{?dist} License: GPLv2+ and LGPLv2+ URL: http://www.mpqc.org/ Source0: http://downloads.sourceforge.net/mpqc/%{name}-%{version}.tar.bz2 @@ -77,6 +77,8 @@ sed -i -r -e 's/AC_DEFINE_UNQUOTED\(([^,]*),([^)]*)\)/AC_DEFINE_UNQUOTED([\1],\2 sed -i -r -e 's/AC_DEFINE_DIR\(([^,]*),([^)]*)\)/AC_DEFINE_DIR([\1],\2,[\1])/g' configure.ac sed -i -r -e 's/AC_CANONICAL_SYSTEM/AC_CANONICAL_SYSTEM\nAC_DEFINE([SHMTYPE], [void *], [data type for shmat])/g' configure.ac sed -i -r -e 's/AC_DEFINE\(\[CXX_RESTRICT\],1,\[CXX_RESTRICT\]\)/AC_DEFINE([restrictxx],[restrict],[have restrict keyword]),AC_DEFINE([restrictxx],[],[do not have restrict keyword])/g' configure.ac +# Make configure.ac c99 conformant, -Werror=implicit-int -Werror=implicit-function-declaration +sed -i -e '\@main.*FF@s|main|extern void FF(void); int main|' configure.ac rm -f lib/autoconf/libtool.m4 # end autoreconf fixup cat >molrender.desktop << EOF @@ -188,6 +190,10 @@ done %changelog +* Sun Nov 27 2022 Mamoru TASAKA - 2.3.1-53 +- Make configure (wrt Fortran symbol detection) c99 conformant + for -Werror=implicit-int -Werror=implicit-function-declaration + * Thu Jul 21 2022 Fedora Release Engineering - 2.3.1-52 - Rebuilt for https://fedoraproject.org/wiki/Fedora_37_Mass_Rebuild From 2551044feb51de7f0f82ccf38b14053a2103c560 Mon Sep 17 00:00:00 2001 From: Fedora Release Engineering Date: Thu, 19 Jan 2023 20:51:03 +0000 Subject: [PATCH 56/69] Rebuilt for https://fedoraproject.org/wiki/Fedora_38_Mass_Rebuild Signed-off-by: Fedora Release Engineering --- mpqc.spec | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/mpqc.spec b/mpqc.spec index 519b716..4d62f9d 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,7 +1,7 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 53%{?dist} +Release: 54%{?dist} License: GPLv2+ and LGPLv2+ URL: http://www.mpqc.org/ Source0: http://downloads.sourceforge.net/mpqc/%{name}-%{version}.tar.bz2 @@ -190,6 +190,9 @@ done %changelog +* Thu Jan 19 2023 Fedora Release Engineering - 2.3.1-54 +- Rebuilt for https://fedoraproject.org/wiki/Fedora_38_Mass_Rebuild + * Sun Nov 27 2022 Mamoru TASAKA - 2.3.1-53 - Make configure (wrt Fortran symbol detection) c99 conformant for -Werror=implicit-int -Werror=implicit-function-declaration From ab3adecfb0b7db80b8eb06190e6da42075b3d6c2 Mon Sep 17 00:00:00 2001 From: Fedora Release Engineering Date: Thu, 20 Jul 2023 15:55:07 +0000 Subject: [PATCH 57/69] Rebuilt for https://fedoraproject.org/wiki/Fedora_39_Mass_Rebuild Signed-off-by: Fedora Release Engineering --- mpqc.spec | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/mpqc.spec b/mpqc.spec index 4d62f9d..8e608dc 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,7 +1,7 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 54%{?dist} +Release: 55%{?dist} License: GPLv2+ and LGPLv2+ URL: http://www.mpqc.org/ Source0: http://downloads.sourceforge.net/mpqc/%{name}-%{version}.tar.bz2 @@ -190,6 +190,9 @@ done %changelog +* Thu Jul 20 2023 Fedora Release Engineering - 2.3.1-55 +- Rebuilt for https://fedoraproject.org/wiki/Fedora_39_Mass_Rebuild + * Thu Jan 19 2023 Fedora Release Engineering - 2.3.1-54 - Rebuilt for https://fedoraproject.org/wiki/Fedora_38_Mass_Rebuild From 5afa81003d57cb4f088f8d2794bab5c13ab1c3bb Mon Sep 17 00:00:00 2001 From: Fedora Release Engineering Date: Sun, 21 Jan 2024 08:46:04 +0000 Subject: [PATCH 58/69] Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild --- mpqc.spec | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/mpqc.spec b/mpqc.spec index 8e608dc..4d39ade 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,7 +1,7 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 55%{?dist} +Release: 56%{?dist} License: GPLv2+ and LGPLv2+ URL: http://www.mpqc.org/ Source0: http://downloads.sourceforge.net/mpqc/%{name}-%{version}.tar.bz2 @@ -190,6 +190,9 @@ done %changelog +* Sun Jan 21 2024 Fedora Release Engineering - 2.3.1-56 +- Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild + * Thu Jul 20 2023 Fedora Release Engineering - 2.3.1-55 - Rebuilt for https://fedoraproject.org/wiki/Fedora_39_Mass_Rebuild From 96ae1464a4a80c927984e77aebd46f9587f0754f Mon Sep 17 00:00:00 2001 From: Fedora Release Engineering Date: Thu, 25 Jan 2024 08:12:42 +0000 Subject: [PATCH 59/69] Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild --- mpqc.spec | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/mpqc.spec b/mpqc.spec index 4d39ade..4ea505a 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,7 +1,7 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 56%{?dist} +Release: 57%{?dist} License: GPLv2+ and LGPLv2+ URL: http://www.mpqc.org/ Source0: http://downloads.sourceforge.net/mpqc/%{name}-%{version}.tar.bz2 @@ -190,6 +190,9 @@ done %changelog +* Thu Jan 25 2024 Fedora Release Engineering - 2.3.1-57 +- Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild + * Sun Jan 21 2024 Fedora Release Engineering - 2.3.1-56 - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild From b4e3a17dc193bcab543bdbae53ce093d88def967 Mon Sep 17 00:00:00 2001 From: Software Management Team Date: Thu, 30 May 2024 12:46:47 +0200 Subject: [PATCH 60/69] Eliminate use of obsolete %patchN syntax (#2283636) --- mpqc.spec | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/mpqc.spec b/mpqc.spec index 4ea505a..d76f02f 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -65,9 +65,9 @@ based on mpqc computational chemistry package from Sandia Labs. %prep %setup -q -%patch0 -p1 -%patch1 -p1 -%patch2 -p1 -b .cpp11 +%patch -P0 -p1 +%patch -P1 -p1 +%patch -P2 -p1 -b .cpp11 sed -i -e 's,molrender.in,%{_datadir}/molrender/molrender.in,g' src/bin/molrender/tkmolrender.in sed -i -e 's,prefix/lib,prefix/%{_lib},g' configure.in # fixup for modern autoreconf From 268cdfa20684ed59fadc08ebb0c1d66fbc52b585 Mon Sep 17 00:00:00 2001 From: Mamoru TASAKA Date: Fri, 31 May 2024 14:35:51 +0900 Subject: [PATCH 61/69] Update %patch usage for recent rpm --- mpqc.spec | 11 +++++++---- 1 file changed, 7 insertions(+), 4 deletions(-) diff --git a/mpqc.spec b/mpqc.spec index 4ea505a..166c1e6 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,7 +1,7 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 57%{?dist} +Release: 58%{?dist} License: GPLv2+ and LGPLv2+ URL: http://www.mpqc.org/ Source0: http://downloads.sourceforge.net/mpqc/%{name}-%{version}.tar.bz2 @@ -65,9 +65,9 @@ based on mpqc computational chemistry package from Sandia Labs. %prep %setup -q -%patch0 -p1 -%patch1 -p1 -%patch2 -p1 -b .cpp11 +%patch -P0 -p1 +%patch -P1 -p1 +%patch -P2 -p1 -b .cpp11 sed -i -e 's,molrender.in,%{_datadir}/molrender/molrender.in,g' src/bin/molrender/tkmolrender.in sed -i -e 's,prefix/lib,prefix/%{_lib},g' configure.in # fixup for modern autoreconf @@ -190,6 +190,9 @@ done %changelog +* Fri May 31 2024 Mamoru TASAKA - 2.3.1-58 +- Update %%patch usage for recent rpm + * Thu Jan 25 2024 Fedora Release Engineering - 2.3.1-57 - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild From 8ac17032c47ecb33cec2c6ba41db6088deea24f3 Mon Sep 17 00:00:00 2001 From: Fedora Release Engineering Date: Thu, 18 Jul 2024 18:46:52 +0000 Subject: [PATCH 62/69] Rebuilt for https://fedoraproject.org/wiki/Fedora_41_Mass_Rebuild --- mpqc.spec | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/mpqc.spec b/mpqc.spec index 166c1e6..c355e5d 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,7 +1,7 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 58%{?dist} +Release: 59%{?dist} License: GPLv2+ and LGPLv2+ URL: http://www.mpqc.org/ Source0: http://downloads.sourceforge.net/mpqc/%{name}-%{version}.tar.bz2 @@ -190,6 +190,9 @@ done %changelog +* Thu Jul 18 2024 Fedora Release Engineering - 2.3.1-59 +- Rebuilt for https://fedoraproject.org/wiki/Fedora_41_Mass_Rebuild + * Fri May 31 2024 Mamoru TASAKA - 2.3.1-58 - Update %%patch usage for recent rpm From ff4a1cd592f521d0e1ae9a38117c6df7b6a5a402 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Miroslav=20Such=C3=BD?= Date: Mon, 2 Sep 2024 12:00:45 +0200 Subject: [PATCH 63/69] convert license to SPDX This is part of https://fedoraproject.org/wiki/Changes/SPDX_Licenses_Phase_4 --- mpqc.spec | 8 ++++++-- 1 file changed, 6 insertions(+), 2 deletions(-) diff --git a/mpqc.spec b/mpqc.spec index c355e5d..0860d83 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,8 +1,9 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 59%{?dist} -License: GPLv2+ and LGPLv2+ +Release: 60%{?dist} +# Automatically converted from old format: GPLv2+ and LGPLv2+ - review is highly recommended. +License: GPL-2.0-or-later AND LicenseRef-Callaway-LGPLv2+ URL: http://www.mpqc.org/ Source0: http://downloads.sourceforge.net/mpqc/%{name}-%{version}.tar.bz2 Source1: bash-script-noarch @@ -190,6 +191,9 @@ done %changelog +* Mon Sep 02 2024 Miroslav Suchý - 2.3.1-60 +- convert license to SPDX + * Thu Jul 18 2024 Fedora Release Engineering - 2.3.1-59 - Rebuilt for https://fedoraproject.org/wiki/Fedora_41_Mass_Rebuild From cb3479f5ff29e082433e81d680d5efb56001a8da Mon Sep 17 00:00:00 2001 From: Fedora Release Engineering Date: Fri, 17 Jan 2025 19:14:49 +0000 Subject: [PATCH 64/69] Rebuilt for https://fedoraproject.org/wiki/Fedora_42_Mass_Rebuild --- mpqc.spec | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/mpqc.spec b/mpqc.spec index 0860d83..1bc6d32 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,7 +1,7 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 60%{?dist} +Release: 61%{?dist} # Automatically converted from old format: GPLv2+ and LGPLv2+ - review is highly recommended. License: GPL-2.0-or-later AND LicenseRef-Callaway-LGPLv2+ URL: http://www.mpqc.org/ @@ -191,6 +191,9 @@ done %changelog +* Fri Jan 17 2025 Fedora Release Engineering - 2.3.1-61 +- Rebuilt for https://fedoraproject.org/wiki/Fedora_42_Mass_Rebuild + * Mon Sep 02 2024 Miroslav Suchý - 2.3.1-60 - convert license to SPDX From 112da239612136419f58b2c3de21abd5c8f5cfdb Mon Sep 17 00:00:00 2001 From: Mamoru TASAKA Date: Sun, 19 Jan 2025 22:52:54 +0900 Subject: [PATCH 65/69] Support C23 strict function prototype --- mpqc-2.3.1-c23-function-prototype.patch | 74 +++++++++++++++++++++++++ mpqc.spec | 10 +++- 2 files changed, 82 insertions(+), 2 deletions(-) create mode 100644 mpqc-2.3.1-c23-function-prototype.patch diff --git a/mpqc-2.3.1-c23-function-prototype.patch b/mpqc-2.3.1-c23-function-prototype.patch new file mode 100644 index 0000000..93db296 --- /dev/null +++ b/mpqc-2.3.1-c23-function-prototype.patch @@ -0,0 +1,74 @@ +diff --git a/src/lib/math/isosurf/implicit.c b/src/lib/math/isosurf/implicit.c +index c02a0e1..bf37f5c 100644 +--- a/src/lib/math/isosurf/implicit.c ++++ b/src/lib/math/isosurf/implicit.c +@@ -124,8 +124,8 @@ typedef struct intlists { /* list of list of integers */ + } INTLISTS; + + typedef struct process { /* parameters, function, storage */ +- double (*function)(); /* implicit surface function */ +- int (*triproc)(); /* triangle output function */ ++ double (*function)(double, double, double); /* implicit surface function */ ++ int (*triproc)(int, int, int, VERTICES); /* triangle output function */ + double size, delta; /* cube size, normal delta */ + int bounds; /* cube range within lattice */ + POINT start; /* start point on surface */ +@@ -136,14 +136,12 @@ typedef struct process { /* parameters, function, storage */ + EDGELIST **edges; /* edge and vertex id hash table */ + } PROCESS; + +-void *calloc(); +- + #define mycalloc(n,nbyte) _mycalloc(n,nbyte,__LINE__) + #define myfree(ptr) _myfree(ptr,__LINE__) + + static void makecubetable (); + static void free_cubetable(); +-static void converge(POINT*,POINT*,double,double(*f)(),POINT*); ++static void converge(POINT*,POINT*,double,double(*f)(double, double, double),POINT*); + static CORNER *setcorner (PROCESS*, int, int, int); + static int setcenter(CENTERLIST *table[], int, int, int); + static int dotet (CUBE*, int, int, int, int, PROCESS*); +@@ -231,7 +229,7 @@ VERTICES vertices; + + main () + { +- char *err, *polygonize(); ++ char *err; + + keepaspect(1, 1); + winopen("implicit"); +@@ -346,13 +344,12 @@ main () + */ + + char *polygonize (function, size, bounds, x, y, z, triproc, mode) +-double (*function)(), size, x, y, z; +-int bounds, (*triproc)(), mode; ++double (*function)(double, double, double), size, x, y, z; ++int bounds, (*triproc)(int, int, int, VERTICES), mode; + { + PROCESS p; + int n, noabort; +- CORNER *setcorner(); +- TEST in, out, find(); ++ TEST in, out; + + p.function = function; + p.triproc = triproc; +@@ -499,7 +496,6 @@ int i, j, k, face, c1, c2, c3, c4; + { + CUBE new; + CUBES *oldcubes = p->cubes; +- CORNER *setcorner(); + int n, pos = old->corners[c1]->value > 0.0 ? 1 : 0; + /* static int facebit[6] = {2, 2, 1, 1, 0, 0}; */ + /* int bit = facebit[face]; */ +@@ -1015,7 +1011,7 @@ PROCESS *p; + + static void converge (p1, p2, v, function, p) + double v; +-double (*function)(); ++double (*function)(double, double, double); + POINT *p1, *p2, *p; + { + int i = 0; diff --git a/mpqc.spec b/mpqc.spec index 1bc6d32..9cd7c85 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,7 +1,7 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 61%{?dist} +Release: 62%{?dist} # Automatically converted from old format: GPLv2+ and LGPLv2+ - review is highly recommended. License: GPL-2.0-or-later AND LicenseRef-Callaway-LGPLv2+ URL: http://www.mpqc.org/ @@ -11,8 +11,10 @@ Patch0: mpqc-2.3.1-mdv-fix-wfn-lib.patch Patch1: mpqc-2.3.1-format-security.patch # C++11 build fix Patch2: mpqc-2.3.1-cpp11-constexpr.patch +# C23 strict function prototype fix +Patch3: mpqc-2.3.1-c23-function-prototype.patch Requires: %{name}-libs%{?_isa} = %{version}-%{release} -BuildRequires: make +BuildRequires: make BuildRequires: gcc-c++ BuildRequires: libtool flex bison BuildRequires: desktop-file-utils @@ -69,6 +71,7 @@ based on mpqc computational chemistry package from Sandia Labs. %patch -P0 -p1 %patch -P1 -p1 %patch -P2 -p1 -b .cpp11 +%patch -P3 -p1 -b .c23 sed -i -e 's,molrender.in,%{_datadir}/molrender/molrender.in,g' src/bin/molrender/tkmolrender.in sed -i -e 's,prefix/lib,prefix/%{_lib},g' configure.in # fixup for modern autoreconf @@ -191,6 +194,9 @@ done %changelog +* Sun Jan 19 2025 Mamoru TASAKA - 2.3.1-62 +- Support C23 strict function prototype + * Fri Jan 17 2025 Fedora Release Engineering - 2.3.1-61 - Rebuilt for https://fedoraproject.org/wiki/Fedora_42_Mass_Rebuild From 49f0c60476477cb7be1c74121312ad105a3e744e Mon Sep 17 00:00:00 2001 From: Mamoru TASAKA Date: Mon, 20 Jan 2025 14:21:39 +0900 Subject: [PATCH 66/69] Support C++17, remove deprecated exception specification --- ...-2.3.1-cpp17-exception-specification.patch | 91 +++++++++++++++++++ mpqc.spec | 10 +- 2 files changed, 99 insertions(+), 2 deletions(-) create mode 100644 mpqc-2.3.1-cpp17-exception-specification.patch diff --git a/mpqc-2.3.1-cpp17-exception-specification.patch b/mpqc-2.3.1-cpp17-exception-specification.patch new file mode 100644 index 0000000..5afd1db --- /dev/null +++ b/mpqc-2.3.1-cpp17-exception-specification.patch @@ -0,0 +1,91 @@ +diff --git a/src/lib/chemistry/qc/mbptr12/transform_ijxy.cc b/src/lib/chemistry/qc/mbptr12/transform_ijxy.cc +index 2b45d3b..a25e5f9 100644 +--- a/src/lib/chemistry/qc/mbptr12/transform_ijxy.cc ++++ b/src/lib/chemistry/qc/mbptr12/transform_ijxy.cc +@@ -174,7 +174,7 @@ TwoBodyMOIntsTransform_ijxy::init_acc() + } + + void +-TwoBodyMOIntsTransform_ijxy::check_int_symm(double threshold) const throw (ProgrammingError) ++TwoBodyMOIntsTransform_ijxy::check_int_symm(double threshold) const /*throw (ProgrammingError)*/ + { + Ref iacc = ints_acc(); + if (!iacc->is_committed()) +diff --git a/src/lib/chemistry/qc/mbptr12/transform_ijxy.h b/src/lib/chemistry/qc/mbptr12/transform_ijxy.h +index 3407cb3..ecb61c6 100644 +--- a/src/lib/chemistry/qc/mbptr12/transform_ijxy.h ++++ b/src/lib/chemistry/qc/mbptr12/transform_ijxy.h +@@ -70,7 +70,7 @@ public: + /// Computes transformed integrals + void compute(); + /// Check symmetry of transformed integrals +- void check_int_symm(double threshold = TwoBodyMOIntsTransform::zero_integral) const throw (ProgrammingError); ++ void check_int_symm(double threshold = TwoBodyMOIntsTransform::zero_integral) const /*throw (ProgrammingError)*/; + }; + + } +diff --git a/src/lib/chemistry/qc/mbptr12/transform_ikjy.cc b/src/lib/chemistry/qc/mbptr12/transform_ikjy.cc +index ccb8d45..43c2fb6 100644 +--- a/src/lib/chemistry/qc/mbptr12/transform_ikjy.cc ++++ b/src/lib/chemistry/qc/mbptr12/transform_ikjy.cc +@@ -175,7 +175,7 @@ TwoBodyMOIntsTransform_ikjy::init_acc() + } + + void +-TwoBodyMOIntsTransform_ikjy::check_int_symm(double threshold) const throw (ProgrammingError) ++TwoBodyMOIntsTransform_ikjy::check_int_symm(double threshold) const /*throw (ProgrammingError)*/ + { + Ref iacc = ints_acc(); + if (!iacc->is_committed()) +diff --git a/src/lib/chemistry/qc/mbptr12/transform_ikjy.h b/src/lib/chemistry/qc/mbptr12/transform_ikjy.h +index 5697813..4be38e4 100644 +--- a/src/lib/chemistry/qc/mbptr12/transform_ikjy.h ++++ b/src/lib/chemistry/qc/mbptr12/transform_ikjy.h +@@ -70,7 +70,7 @@ public: + /// Computes transformed integrals + void compute(); + /// Check symmetry of transformed integrals +- void check_int_symm(double threshold = TwoBodyMOIntsTransform::zero_integral) const throw (ProgrammingError); ++ void check_int_symm(double threshold = TwoBodyMOIntsTransform::zero_integral) const /*throw (ProgrammingError)*/; + }; + + } +diff --git a/src/lib/chemistry/qc/mbptr12/transform_ixjy.cc b/src/lib/chemistry/qc/mbptr12/transform_ixjy.cc +index 2548296..b4f08cd 100644 +--- a/src/lib/chemistry/qc/mbptr12/transform_ixjy.cc ++++ b/src/lib/chemistry/qc/mbptr12/transform_ixjy.cc +@@ -182,7 +182,7 @@ TwoBodyMOIntsTransform_ixjy::init_acc() + } + + void +-TwoBodyMOIntsTransform_ixjy::check_int_symm(double threshold) const throw (ProgrammingError) ++TwoBodyMOIntsTransform_ixjy::check_int_symm(double threshold) const /*throw (ProgrammingError)*/ + { + Ref iacc = ints_acc(); + if (!iacc->is_committed()) +diff --git a/src/lib/chemistry/qc/mbptr12/transform_ixjy.h b/src/lib/chemistry/qc/mbptr12/transform_ixjy.h +index 8fda231..a10e4ef 100644 +--- a/src/lib/chemistry/qc/mbptr12/transform_ixjy.h ++++ b/src/lib/chemistry/qc/mbptr12/transform_ixjy.h +@@ -71,7 +71,7 @@ public: + /// Computes transformed integrals + void compute(); + /// Check symmetry of transformed integrals +- void check_int_symm(double threshold = TwoBodyMOIntsTransform::zero_integral) const throw (ProgrammingError); ++ void check_int_symm(double threshold = TwoBodyMOIntsTransform::zero_integral) const /*throw (ProgrammingError)*/; + }; + + } +diff --git a/src/lib/chemistry/qc/mbptr12/transform_tbint.h b/src/lib/chemistry/qc/mbptr12/transform_tbint.h +index 731a53c..57e4e19 100644 +--- a/src/lib/chemistry/qc/mbptr12/transform_tbint.h ++++ b/src/lib/chemistry/qc/mbptr12/transform_tbint.h +@@ -196,7 +196,7 @@ public: + /// Computes transformed integrals + virtual void compute() = 0; + /// Check symmetry of transformed integrals +- virtual void check_int_symm(double threshold = TwoBodyMOIntsTransform::zero_integral) const throw (ProgrammingError) =0; ++ virtual void check_int_symm(double threshold = TwoBodyMOIntsTransform::zero_integral) const /*throw (ProgrammingError)*/ =0; + /// Make the transform obsolete. Next call to compute() will recompute + virtual void obsolete(); + diff --git a/mpqc.spec b/mpqc.spec index 9cd7c85..f584fb0 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,7 +1,7 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 62%{?dist} +Release: 63%{?dist} # Automatically converted from old format: GPLv2+ and LGPLv2+ - review is highly recommended. License: GPL-2.0-or-later AND LicenseRef-Callaway-LGPLv2+ URL: http://www.mpqc.org/ @@ -13,6 +13,8 @@ Patch1: mpqc-2.3.1-format-security.patch Patch2: mpqc-2.3.1-cpp11-constexpr.patch # C23 strict function prototype fix Patch3: mpqc-2.3.1-c23-function-prototype.patch +# C++17 build fix: remove deprecated exception specification +Patch4: mpqc-2.3.1-cpp17-exception-specification.patch Requires: %{name}-libs%{?_isa} = %{version}-%{release} BuildRequires: make BuildRequires: gcc-c++ @@ -72,6 +74,8 @@ based on mpqc computational chemistry package from Sandia Labs. %patch -P1 -p1 %patch -P2 -p1 -b .cpp11 %patch -P3 -p1 -b .c23 +%patch -P4 -p1 -b .cpp17 + sed -i -e 's,molrender.in,%{_datadir}/molrender/molrender.in,g' src/bin/molrender/tkmolrender.in sed -i -e 's,prefix/lib,prefix/%{_lib},g' configure.in # fixup for modern autoreconf @@ -98,7 +102,6 @@ Version=1.0 EOF %build -export CXXFLAGS="-std=c++14 $RPM_OPT_FLAGS" export F77=gfortran autoreconf -v -f -i -I lib/autoconf @@ -194,6 +197,9 @@ done %changelog +* Mon Jan 20 2025 Mamoru TASAKA - 2.3.1-63 +- Support C++17, remove deprecated exception specification + * Sun Jan 19 2025 Mamoru TASAKA - 2.3.1-62 - Support C23 strict function prototype From c926d200eec0e27597d34715a204ce43e91e1493 Mon Sep 17 00:00:00 2001 From: Mamoru TASAKA Date: Fri, 31 Jan 2025 11:25:57 +0900 Subject: [PATCH 67/69] Use wish instead of tk for BuildRequires F42: rebuild with wish in tk9 --- mpqc.spec | 10 ++++++++-- 1 file changed, 8 insertions(+), 2 deletions(-) diff --git a/mpqc.spec b/mpqc.spec index f584fb0..90b57ed 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,7 +1,7 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 63%{?dist} +Release: 64%{?dist} # Automatically converted from old format: GPLv2+ and LGPLv2+ - review is highly recommended. License: GPL-2.0-or-later AND LicenseRef-Callaway-LGPLv2+ URL: http://www.mpqc.org/ @@ -20,7 +20,9 @@ BuildRequires: make BuildRequires: gcc-c++ BuildRequires: libtool flex bison BuildRequires: desktop-file-utils -BuildRequires: gcc-gfortran perl-generators tk doxygen +BuildRequires: gcc-gfortran perl-generators +BuildRequires: doxygen +BuildRequires: /usr/bin/wish BuildRequires: libint-devel BuildRequires: flexiblas-devel @@ -197,6 +199,10 @@ done %changelog +* Fri Jan 31 2025 Mamoru TASAKA - 2.3.1-64 +- Use wish instead of tk for BuildRequires +- F42: rebuild with wish in tk9 + * Mon Jan 20 2025 Mamoru TASAKA - 2.3.1-63 - Support C++17, remove deprecated exception specification From 2005ee245aaab3c953bdc3576fce71433b70d330 Mon Sep 17 00:00:00 2001 From: Fedora Release Engineering Date: Thu, 24 Jul 2025 22:24:52 +0000 Subject: [PATCH 68/69] Rebuilt for https://fedoraproject.org/wiki/Fedora_43_Mass_Rebuild --- mpqc.spec | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/mpqc.spec b/mpqc.spec index 90b57ed..7bb2cf1 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,7 +1,7 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 64%{?dist} +Release: 65%{?dist} # Automatically converted from old format: GPLv2+ and LGPLv2+ - review is highly recommended. License: GPL-2.0-or-later AND LicenseRef-Callaway-LGPLv2+ URL: http://www.mpqc.org/ @@ -199,6 +199,9 @@ done %changelog +* Thu Jul 24 2025 Fedora Release Engineering - 2.3.1-65 +- Rebuilt for https://fedoraproject.org/wiki/Fedora_43_Mass_Rebuild + * Fri Jan 31 2025 Mamoru TASAKA - 2.3.1-64 - Use wish instead of tk for BuildRequires - F42: rebuild with wish in tk9 From 24ab625d16064e44e45f6234109ebd5dc3883dcf Mon Sep 17 00:00:00 2001 From: Mamoru TASAKA Date: Thu, 15 Jan 2026 15:04:00 +0900 Subject: [PATCH 69/69] c++20 fix for std::istream redirect operator change --- mpqc-2.3.1-cpp20-std_istream-redirect.patch | 29 +++++++++++++++++++++ mpqc.spec | 8 +++++- 2 files changed, 36 insertions(+), 1 deletion(-) create mode 100644 mpqc-2.3.1-cpp20-std_istream-redirect.patch diff --git a/mpqc-2.3.1-cpp20-std_istream-redirect.patch b/mpqc-2.3.1-cpp20-std_istream-redirect.patch new file mode 100644 index 0000000..54c3ab0 --- /dev/null +++ b/mpqc-2.3.1-cpp20-std_istream-redirect.patch @@ -0,0 +1,29 @@ +--- mpqc-2.3.1/src/lib/util/state/state_text.cc.cpp20 2002-10-11 04:58:21.000000000 +0900 ++++ mpqc-2.3.1/src/lib/util/state/state_text.cc 2026-01-15 14:40:20.392566622 +0900 +@@ -138,6 +138,7 @@ StateInText::no_array() + + /////////////////////////////////////////////////////////////////////// + ++/* + int + StateInText::read(char*s) + { +@@ -149,6 +150,7 @@ StateInText::read(char*s) + } + return strlen(s)+1; + } ++*/ + + int + StateInText::read(unsigned int&i) +--- mpqc-2.3.1/src/lib/util/state/state_text.h.cpp20 2002-04-03 15:44:40.000000000 +0900 ++++ mpqc-2.3.1/src/lib/util/state/state_text.h 2026-01-15 14:40:28.004235129 +0900 +@@ -94,7 +94,7 @@ class StateInText: public StateInFile { + void no_newline(); + void no_array(); + +- int read(char*); ++ /* int read(char*); */ + int read(unsigned int&); + int read(int&); + int read(float&); diff --git a/mpqc.spec b/mpqc.spec index 7bb2cf1..4253eb1 100644 --- a/mpqc.spec +++ b/mpqc.spec @@ -1,7 +1,7 @@ Name: mpqc Summary: Ab-inito chemistry program Version: 2.3.1 -Release: 65%{?dist} +Release: 66%{?dist} # Automatically converted from old format: GPLv2+ and LGPLv2+ - review is highly recommended. License: GPL-2.0-or-later AND LicenseRef-Callaway-LGPLv2+ URL: http://www.mpqc.org/ @@ -15,6 +15,8 @@ Patch2: mpqc-2.3.1-cpp11-constexpr.patch Patch3: mpqc-2.3.1-c23-function-prototype.patch # C++17 build fix: remove deprecated exception specification Patch4: mpqc-2.3.1-cpp17-exception-specification.patch +# C++20 fix: std::istream operator>>(char *) removal +Patch5: mpqc-2.3.1-cpp20-std_istream-redirect.patch Requires: %{name}-libs%{?_isa} = %{version}-%{release} BuildRequires: make BuildRequires: gcc-c++ @@ -77,6 +79,7 @@ based on mpqc computational chemistry package from Sandia Labs. %patch -P2 -p1 -b .cpp11 %patch -P3 -p1 -b .c23 %patch -P4 -p1 -b .cpp17 +%patch -P5 -p1 -b .cpp20 sed -i -e 's,molrender.in,%{_datadir}/molrender/molrender.in,g' src/bin/molrender/tkmolrender.in sed -i -e 's,prefix/lib,prefix/%{_lib},g' configure.in @@ -199,6 +202,9 @@ done %changelog +* Thu Jan 15 2026 Mamoru TASAKA - 2.3.1-66 +- c++20 fix for std::istream redirect operator change + * Thu Jul 24 2025 Fedora Release Engineering - 2.3.1-65 - Rebuilt for https://fedoraproject.org/wiki/Fedora_43_Mass_Rebuild