The package rpms/OpenMolcas.git has added or updated architecture specific content in its spec file (ExclusiveArch/ExcludeArch or %ifarch/%ifnarch) in commit(s): https://src.fedoraproject.org/cgit/rpms/OpenMolcas.git/commit/?id=6c9838556d....
Change: +ExclusiveArch: x86_64 aarch64 ppc64le s390x
Thanks.
Full change: ============
commit 6c9838556d3e305975dc6b9d219ceda0647e59da Author: Susi Lehtola jussilehtola@fedoraproject.org Date: Thu May 13 15:49:35 2021 +0000
Disable builds on 32-bit architectures by request of upstream
diff --git a/OpenMolcas.spec b/OpenMolcas.spec index b7af8f8..57e4f9d 100644 --- a/OpenMolcas.spec +++ b/OpenMolcas.spec @@ -14,7 +14,10 @@ Patch0: OpenMolcas-21.02-fedora.patch # Read python modules from system directory Patch1: OpenMolcas-19.11-pymodule.patch
-BuildRequires: make +# OpenMolcas is only supported on 64-bit architectures +ExclusiveArch: x86_64 aarch64 ppc64le s390x + +BuildRequires: make BuildRequires: cmake BuildRequires: gcc-gfortran %if 0%{?fedora} >= 33 @@ -132,6 +135,7 @@ cp -p Tools/pymolcas/pymolcas.py %{buildroot}%{_bindir}/pymolcas
%changelog * Thu May 06 2021 Susi Lehtola jussilehtola@fedoraproject.org - 21.02-1 +- Disable builds on 32-bit architectures by request of upstream. - Update to release 21.02.
* Mon Jan 25 2021 Fedora Release Engineering releng@fedoraproject.org - 20.10-2
commit 7c95d62f101d0edc6f8dedfde258823da7a2598d Author: Susi Lehtola jussilehtola@fedoraproject.org Date: Thu May 13 15:35:13 2021 +0000
Drop another patch that was fixing an issue with the dropped patch
diff --git a/OpenMolcas-21.02-linelen.patch b/OpenMolcas-21.02-linelen.patch deleted file mode 100644 index 0c9c196..0000000 --- a/OpenMolcas-21.02-linelen.patch +++ /dev/null @@ -1,13 +0,0 @@ -diff -up OpenMolcas-v21.02-41cee871945ac712e86ee971425a49a8fc60a936/src/Include/mma_allo_template.fh.linelen OpenMolcas-v21.02-41cee871945ac712e86ee971425a49a8fc60a936/src/Include/mma_allo_template.fh ---- OpenMolcas-v21.02-41cee871945ac712e86ee971425a49a8fc60a936/src/Include/mma_allo_template.fh.linelen 2021-05-06 18:45:09.507200295 +0000 -+++ OpenMolcas-v21.02-41cee871945ac712e86ee971425a49a8fc60a936/src/Include/mma_allo_template.fh 2021-05-06 18:37:47.744971016 +0000 -@@ -162,7 +162,8 @@ - integer(kind=iwp), intent(in) :: l1(2),l2(2),l3(2),l4(2),l5(2) - #elif _DIMENSIONS_==7 - _TYPE_, allocatable, intent(inout) :: buffer(:,:,:,:,:,:,:) -- integer(kind=iwp), intent(in) :: l1(2),l2(2),l3(2),l4(2),l5(2),l6(2),l7(2) -+ integer(kind=iwp), intent(in) :: l1(2),l2(2),l3(2),l4(2),l5(2) & -+ & ,l6(2),l7(2) - #endif - character(len=*), optional, intent(in) :: label - #include "cptr2loff.fh" diff --git a/OpenMolcas.spec b/OpenMolcas.spec index 8029df5..b7af8f8 100644 --- a/OpenMolcas.spec +++ b/OpenMolcas.spec @@ -13,8 +13,6 @@ Source0: https://gitlab.com/Molcas/OpenMolcas/-/archive/v%%7Bversion%7D/%%7Bnam Patch0: OpenMolcas-21.02-fedora.patch # Read python modules from system directory Patch1: OpenMolcas-19.11-pymodule.patch -# Patch to fix line length -Patch3: OpenMolcas-21.02-linelen.patch
BuildRequires: make BuildRequires: cmake @@ -55,7 +53,6 @@ therefore not included in OpenMolcas. %setup -q -n %{name}-v%{version}-%{commit} %patch0 -p1 -b .fedora %patch1 -p1 -b .pymodule -%patch3 -p1 -b .linelen
# Name of OpenBLAS library to use is %if 0%{?fedora} >= 33
commit 3336d08e92a0b0a601e98327e9791f0849531835 Author: Susi Lehtola jussilehtola@fedoraproject.org Date: Thu May 13 15:07:34 2021 +0000
Drop integer type patch as suggested by upstream
diff --git a/OpenMolcas-21.02-inttype.patch b/OpenMolcas-21.02-inttype.patch deleted file mode 100644 index 8a01f78..0000000 --- a/OpenMolcas-21.02-inttype.patch +++ /dev/null @@ -1,99 +0,0 @@ -diff -up OpenMolcas-v21.02-41cee871945ac712e86ee971425a49a8fc60a936/src/Include/mma_allo_template.fh.inttype OpenMolcas-v21.02-41cee871945ac712e86ee971425a49a8fc60a936/src/Include/mma_allo_template.fh ---- OpenMolcas-v21.02-41cee871945ac712e86ee971425a49a8fc60a936/src/Include/mma_allo_template.fh.inttype 2021-02-14 22:06:46.000000000 +0100 -+++ OpenMolcas-v21.02-41cee871945ac712e86ee971425a49a8fc60a936/src/Include/mma_allo_template.fh 2021-02-20 02:06:27.705574757 +0100 -@@ -45,29 +45,30 @@ - #elif _DIMENSIONS_==7 - subroutine _ALLO_NAME_(buffer,n1,n2,n3,n4,n5,n6,n7,label) - #endif -+ use Definitions, only: iwp - implicit none - #if _DIMENSIONS_==1 - _TYPE_, allocatable, intent(inout) :: buffer(:) -- integer, intent(in) :: n1 -+ integer(kind=iwp), intent(in) :: n1 - #elif _DIMENSIONS_==2 - _TYPE_, allocatable, intent(inout) :: buffer(:,:) -- integer, intent(in) :: n1,n2 -+ integer(kind=iwp), intent(in) :: n1,n2 - #elif _DIMENSIONS_==3 - _TYPE_, allocatable, intent(inout) :: buffer(:,:,:) -- integer, intent(in) :: n1,n2,n3 -+ integer(kind=iwp), intent(in) :: n1,n2,n3 - #elif _DIMENSIONS_==4 - _TYPE_, allocatable, intent(inout) :: buffer(:,:,:,:) -- integer, intent(in) :: n1,n2,n3,n4 -+ integer(kind=iwp), intent(in) :: n1,n2,n3,n4 - #elif _DIMENSIONS_==5 - _TYPE_, allocatable, intent(inout) :: buffer(:,:,:,:,:) -- integer, intent(in) :: n1,n2,n3,n4,n5 -+ integer(kind=iwp), intent(in) :: n1,n2,n3,n4,n5 - #elif _DIMENSIONS_==7 - _TYPE_, allocatable, intent(inout) :: buffer(:,:,:,:,:,:,:) -- integer, intent(in) :: n1,n2,n3,n4,n5,n6,n7 -+ integer(kind=iwp), intent(in) :: n1,n2,n3,n4,n5,n6,n7 - #endif - character(len=*), optional, intent(in) :: label - #include "cptr2loff.fh" -- integer :: ntot,mma_avail,bufsize,loffset -+ integer(kind=iwp) :: ntot,mma_avail,bufsize,loffset - if (allocated(buffer)) then - call mma_double_allo - end if -@@ -142,29 +143,30 @@ - #elif _DIMENSIONS_==7 - subroutine _ALLO_NAME_LIM_(buffer,l1,l2,l3,l4,l5,l6,l7,label) - #endif -+ use Definitions, only: iwp - implicit none - #if _DIMENSIONS_==1 - _TYPE_, allocatable, intent(inout) :: buffer(:) -- integer, intent(in) :: l1(2) -+ integer(kind=iwp), intent(in) :: l1(2) - #elif _DIMENSIONS_==2 - _TYPE_, allocatable, intent(inout) :: buffer(:,:) -- integer, intent(in) :: l1(2),l2(2) -+ integer(kind=iwp), intent(in) :: l1(2),l2(2) - #elif _DIMENSIONS_==3 - _TYPE_, allocatable, intent(inout) :: buffer(:,:,:) -- integer, intent(in) :: l1(2),l2(2),l3(2) -+ integer(kind=iwp), intent(in) :: l1(2),l2(2),l3(2) - #elif _DIMENSIONS_==4 - _TYPE_, allocatable, intent(inout) :: buffer(:,:,:,:) -- integer, intent(in) :: l1(2),l2(2),l3(2),l4(2) -+ integer(kind=iwp), intent(in) :: l1(2),l2(2),l3(2),l4(2) - #elif _DIMENSIONS_==5 - _TYPE_, allocatable, intent(inout) :: buffer(:,:,:,:,:) -- integer, intent(in) :: l1(2),l2(2),l3(2),l4(2),l5(2) -+ integer(kind=iwp), intent(in) :: l1(2),l2(2),l3(2),l4(2),l5(2) - #elif _DIMENSIONS_==7 - _TYPE_, allocatable, intent(inout) :: buffer(:,:,:,:,:,:,:) -- integer, intent(in) :: l1(2),l2(2),l3(2),l4(2),l5(2),l6(2),l7(2) -+ integer(kind=iwp), intent(in) :: l1(2),l2(2),l3(2),l4(2),l5(2),l6(2),l7(2) - #endif - character(len=*), optional, intent(in) :: label - #include "cptr2loff.fh" -- integer :: ntot,mma_avail,bufsize,loffset -+ integer(kind=iwp) :: ntot,mma_avail,bufsize,loffset - if (allocated(buffer)) then - call mma_double_allo - end if -@@ -236,6 +238,7 @@ - #define _FREE_NAME_ CAT(CAT(_SUBR_NAME_,_free),CAT(_,CAT(_DIMENSIONS_,D))) - - subroutine _FREE_NAME_(buffer) -+ use Definitions, only: iwp - implicit none - #if _DIMENSIONS_==1 - _TYPE_, allocatable, intent(inout) :: buffer(:) -@@ -251,9 +254,9 @@ - _TYPE_, allocatable, intent(inout) :: buffer(:,:,:,:,:,:,:) - #endif - #include "cptr2loff.fh" -- integer :: ntot,loffset -+ integer(kind=iwp) :: ntot,loffset - #ifndef _DATA_NAME_ -- integer :: bufsize -+ integer(kind=iwp) :: bufsize - #endif - ntot = size(buffer) - #ifndef _DATA_NAME_ diff --git a/OpenMolcas.spec b/OpenMolcas.spec index 7bcba7c..8029df5 100644 --- a/OpenMolcas.spec +++ b/OpenMolcas.spec @@ -13,8 +13,6 @@ Source0: https://gitlab.com/Molcas/OpenMolcas/-/archive/v%%7Bversion%7D/%%7Bnam Patch0: OpenMolcas-21.02-fedora.patch # Read python modules from system directory Patch1: OpenMolcas-19.11-pymodule.patch -# Patch in correct integer type to fix build on 32-bit architectures -Patch2: OpenMolcas-21.02-inttype.patch # Patch to fix line length Patch3: OpenMolcas-21.02-linelen.patch
@@ -57,7 +55,6 @@ therefore not included in OpenMolcas. %setup -q -n %{name}-v%{version}-%{commit} %patch0 -p1 -b .fedora %patch1 -p1 -b .pymodule -%patch2 -p1 -b .inttype %patch3 -p1 -b .linelen
# Name of OpenBLAS library to use is
commit b3f29027a1bf7d837b7dfb8a23e039ae5648dba6 Author: Susi Lehtola jussilehtola@fedoraproject.org Date: Thu May 6 18:58:50 2021 +0000
Apply it too...
diff --git a/OpenMolcas.spec b/OpenMolcas.spec index 0da0e6f..7bcba7c 100644 --- a/OpenMolcas.spec +++ b/OpenMolcas.spec @@ -58,6 +58,7 @@ therefore not included in OpenMolcas. %patch0 -p1 -b .fedora %patch1 -p1 -b .pymodule %patch2 -p1 -b .inttype +%patch3 -p1 -b .linelen
# Name of OpenBLAS library to use is %if 0%{?fedora} >= 33
commit 13ba307696368b2908e9c2a5abc4ef809bef6f59 Merge: 0ff0f5d b73cd68 Author: Susi Lehtola jussilehtola@fedoraproject.org Date: Thu May 6 18:47:18 2021 +0000
Merge branch 'rawhide' of ssh://pkgs.fedoraproject.org/rpms/OpenMolcas into rawhide
commit 0ff0f5dc80f1b2e1364c8a67006a89e4c9217811 Author: Susi Lehtola jussilehtola@fedoraproject.org Date: Thu May 6 18:47:08 2021 +0000
Add patch
diff --git a/OpenMolcas-21.02-linelen.patch b/OpenMolcas-21.02-linelen.patch new file mode 100644 index 0000000..0c9c196 --- /dev/null +++ b/OpenMolcas-21.02-linelen.patch @@ -0,0 +1,13 @@ +diff -up OpenMolcas-v21.02-41cee871945ac712e86ee971425a49a8fc60a936/src/Include/mma_allo_template.fh.linelen OpenMolcas-v21.02-41cee871945ac712e86ee971425a49a8fc60a936/src/Include/mma_allo_template.fh +--- OpenMolcas-v21.02-41cee871945ac712e86ee971425a49a8fc60a936/src/Include/mma_allo_template.fh.linelen 2021-05-06 18:45:09.507200295 +0000 ++++ OpenMolcas-v21.02-41cee871945ac712e86ee971425a49a8fc60a936/src/Include/mma_allo_template.fh 2021-05-06 18:37:47.744971016 +0000 +@@ -162,7 +162,8 @@ + integer(kind=iwp), intent(in) :: l1(2),l2(2),l3(2),l4(2),l5(2) + #elif _DIMENSIONS_==7 + _TYPE_, allocatable, intent(inout) :: buffer(:,:,:,:,:,:,:) +- integer(kind=iwp), intent(in) :: l1(2),l2(2),l3(2),l4(2),l5(2),l6(2),l7(2) ++ integer(kind=iwp), intent(in) :: l1(2),l2(2),l3(2),l4(2),l5(2) & ++ & ,l6(2),l7(2) + #endif + character(len=*), optional, intent(in) :: label + #include "cptr2loff.fh" diff --git a/OpenMolcas.spec b/OpenMolcas.spec index c7460f2..90ab8ec 100644 --- a/OpenMolcas.spec +++ b/OpenMolcas.spec @@ -15,6 +15,8 @@ Patch0: OpenMolcas-21.02-fedora.patch Patch1: OpenMolcas-19.11-pymodule.patch # Patch in correct integer type to fix build on 32-bit architectures Patch2: OpenMolcas-21.02-inttype.patch +# Patch to fix line length +Patch3: OpenMolcas-21.02-linelen.patch
BuildRequires: make BuildRequires: cmake @@ -133,7 +135,7 @@ cp -p Tools/pymolcas/pymolcas.py %{buildroot}%{_bindir}/pymolcas %{_bindir}/pymolcas
%changelog -* Thu Feb 18 2021 Susi Lehtola jussilehtola@fedoraproject.org - 21.02-1 +* Thu May 06 2021 Susi Lehtola jussilehtola@fedoraproject.org - 21.02-1 - Update to release 21.02.
* Mon Jan 25 2021 Fedora Release Engineering releng@fedoraproject.org - 20.10-2
commit b73cd68fcc06ccf4b6b3392ba412c4d99fceb373 Author: Tomas Hrnciar thrnciar@redhat.com Date: Mon Apr 19 13:18:31 2021 +0200
BuildRequire setuptools explicitly
See https://fedoraproject.org/wiki/Changes/Reduce_dependencies_on_python3-setupt...
diff --git a/OpenMolcas.spec b/OpenMolcas.spec index c7460f2..0a88124 100644 --- a/OpenMolcas.spec +++ b/OpenMolcas.spec @@ -31,6 +31,7 @@ BuildRequires: python2-devel Requires: pyparsing %else BuildRequires: python3-devel +BuildRequires: python3-setuptools BuildRequires: python3-pyparsing Requires: python3-pyparsing Requires: python3-setuptools
commit 4583ac052e57faf4b1bf189c2560f38713e37389 Author: Susi Lehtola jussilehtola@fedoraproject.org Date: Sat Feb 20 02:06:53 2021 +0100
Another try
diff --git a/OpenMolcas-21.02-inttype.patch b/OpenMolcas-21.02-inttype.patch index 235f7ac..8a01f78 100644 --- a/OpenMolcas-21.02-inttype.patch +++ b/OpenMolcas-21.02-inttype.patch @@ -1,7 +1,11 @@ diff -up OpenMolcas-v21.02-41cee871945ac712e86ee971425a49a8fc60a936/src/Include/mma_allo_template.fh.inttype OpenMolcas-v21.02-41cee871945ac712e86ee971425a49a8fc60a936/src/Include/mma_allo_template.fh --- OpenMolcas-v21.02-41cee871945ac712e86ee971425a49a8fc60a936/src/Include/mma_allo_template.fh.inttype 2021-02-14 22:06:46.000000000 +0100 -+++ OpenMolcas-v21.02-41cee871945ac712e86ee971425a49a8fc60a936/src/Include/mma_allo_template.fh 2021-02-20 01:52:56.134064641 +0100 -@@ -48,22 +48,22 @@ ++++ OpenMolcas-v21.02-41cee871945ac712e86ee971425a49a8fc60a936/src/Include/mma_allo_template.fh 2021-02-20 02:06:27.705574757 +0100 +@@ -45,29 +45,30 @@ + #elif _DIMENSIONS_==7 + subroutine _ALLO_NAME_(buffer,n1,n2,n3,n4,n5,n6,n7,label) + #endif ++ use Definitions, only: iwp implicit none #if _DIMENSIONS_==1 _TYPE_, allocatable, intent(inout) :: buffer(:) @@ -30,3 +34,66 @@ diff -up OpenMolcas-v21.02-41cee871945ac712e86ee971425a49a8fc60a936/src/Include/ #endif character(len=*), optional, intent(in) :: label #include "cptr2loff.fh" +- integer :: ntot,mma_avail,bufsize,loffset ++ integer(kind=iwp) :: ntot,mma_avail,bufsize,loffset + if (allocated(buffer)) then + call mma_double_allo + end if +@@ -142,29 +143,30 @@ + #elif _DIMENSIONS_==7 + subroutine _ALLO_NAME_LIM_(buffer,l1,l2,l3,l4,l5,l6,l7,label) + #endif ++ use Definitions, only: iwp + implicit none + #if _DIMENSIONS_==1 + _TYPE_, allocatable, intent(inout) :: buffer(:) +- integer, intent(in) :: l1(2) ++ integer(kind=iwp), intent(in) :: l1(2) + #elif _DIMENSIONS_==2 + _TYPE_, allocatable, intent(inout) :: buffer(:,:) +- integer, intent(in) :: l1(2),l2(2) ++ integer(kind=iwp), intent(in) :: l1(2),l2(2) + #elif _DIMENSIONS_==3 + _TYPE_, allocatable, intent(inout) :: buffer(:,:,:) +- integer, intent(in) :: l1(2),l2(2),l3(2) ++ integer(kind=iwp), intent(in) :: l1(2),l2(2),l3(2) + #elif _DIMENSIONS_==4 + _TYPE_, allocatable, intent(inout) :: buffer(:,:,:,:) +- integer, intent(in) :: l1(2),l2(2),l3(2),l4(2) ++ integer(kind=iwp), intent(in) :: l1(2),l2(2),l3(2),l4(2) + #elif _DIMENSIONS_==5 + _TYPE_, allocatable, intent(inout) :: buffer(:,:,:,:,:) +- integer, intent(in) :: l1(2),l2(2),l3(2),l4(2),l5(2) ++ integer(kind=iwp), intent(in) :: l1(2),l2(2),l3(2),l4(2),l5(2) + #elif _DIMENSIONS_==7 + _TYPE_, allocatable, intent(inout) :: buffer(:,:,:,:,:,:,:) +- integer, intent(in) :: l1(2),l2(2),l3(2),l4(2),l5(2),l6(2),l7(2) ++ integer(kind=iwp), intent(in) :: l1(2),l2(2),l3(2),l4(2),l5(2),l6(2),l7(2) + #endif + character(len=*), optional, intent(in) :: label + #include "cptr2loff.fh" +- integer :: ntot,mma_avail,bufsize,loffset ++ integer(kind=iwp) :: ntot,mma_avail,bufsize,loffset + if (allocated(buffer)) then + call mma_double_allo + end if +@@ -236,6 +238,7 @@ + #define _FREE_NAME_ CAT(CAT(_SUBR_NAME_,_free),CAT(_,CAT(_DIMENSIONS_,D))) + + subroutine _FREE_NAME_(buffer) ++ use Definitions, only: iwp + implicit none + #if _DIMENSIONS_==1 + _TYPE_, allocatable, intent(inout) :: buffer(:) +@@ -251,9 +254,9 @@ + _TYPE_, allocatable, intent(inout) :: buffer(:,:,:,:,:,:,:) + #endif + #include "cptr2loff.fh" +- integer :: ntot,loffset ++ integer(kind=iwp) :: ntot,loffset + #ifndef _DATA_NAME_ +- integer :: bufsize ++ integer(kind=iwp) :: bufsize + #endif + ntot = size(buffer) + #ifndef _DATA_NAME_
commit 057a50647562e88cd3398e45945c6e00d570f280 Author: Susi Lehtola jussilehtola@fedoraproject.org Date: Sat Feb 20 01:54:07 2021 +0100
Try to patch out FTBFS.
diff --git a/OpenMolcas-21.02-inttype.patch b/OpenMolcas-21.02-inttype.patch new file mode 100644 index 0000000..235f7ac --- /dev/null +++ b/OpenMolcas-21.02-inttype.patch @@ -0,0 +1,32 @@ +diff -up OpenMolcas-v21.02-41cee871945ac712e86ee971425a49a8fc60a936/src/Include/mma_allo_template.fh.inttype OpenMolcas-v21.02-41cee871945ac712e86ee971425a49a8fc60a936/src/Include/mma_allo_template.fh +--- OpenMolcas-v21.02-41cee871945ac712e86ee971425a49a8fc60a936/src/Include/mma_allo_template.fh.inttype 2021-02-14 22:06:46.000000000 +0100 ++++ OpenMolcas-v21.02-41cee871945ac712e86ee971425a49a8fc60a936/src/Include/mma_allo_template.fh 2021-02-20 01:52:56.134064641 +0100 +@@ -48,22 +48,22 @@ + implicit none + #if _DIMENSIONS_==1 + _TYPE_, allocatable, intent(inout) :: buffer(:) +- integer, intent(in) :: n1 ++ integer(kind=iwp), intent(in) :: n1 + #elif _DIMENSIONS_==2 + _TYPE_, allocatable, intent(inout) :: buffer(:,:) +- integer, intent(in) :: n1,n2 ++ integer(kind=iwp), intent(in) :: n1,n2 + #elif _DIMENSIONS_==3 + _TYPE_, allocatable, intent(inout) :: buffer(:,:,:) +- integer, intent(in) :: n1,n2,n3 ++ integer(kind=iwp), intent(in) :: n1,n2,n3 + #elif _DIMENSIONS_==4 + _TYPE_, allocatable, intent(inout) :: buffer(:,:,:,:) +- integer, intent(in) :: n1,n2,n3,n4 ++ integer(kind=iwp), intent(in) :: n1,n2,n3,n4 + #elif _DIMENSIONS_==5 + _TYPE_, allocatable, intent(inout) :: buffer(:,:,:,:,:) +- integer, intent(in) :: n1,n2,n3,n4,n5 ++ integer(kind=iwp), intent(in) :: n1,n2,n3,n4,n5 + #elif _DIMENSIONS_==7 + _TYPE_, allocatable, intent(inout) :: buffer(:,:,:,:,:,:,:) +- integer, intent(in) :: n1,n2,n3,n4,n5,n6,n7 ++ integer(kind=iwp), intent(in) :: n1,n2,n3,n4,n5,n6,n7 + #endif + character(len=*), optional, intent(in) :: label + #include "cptr2loff.fh" diff --git a/OpenMolcas.spec b/OpenMolcas.spec index ff28a52..c7460f2 100644 --- a/OpenMolcas.spec +++ b/OpenMolcas.spec @@ -13,6 +13,8 @@ Source0: https://gitlab.com/Molcas/OpenMolcas/-/archive/v%%7Bversion%7D/%%7Bnam Patch0: OpenMolcas-21.02-fedora.patch # Read python modules from system directory Patch1: OpenMolcas-19.11-pymodule.patch +# Patch in correct integer type to fix build on 32-bit architectures +Patch2: OpenMolcas-21.02-inttype.patch
BuildRequires: make BuildRequires: cmake @@ -52,6 +54,7 @@ therefore not included in OpenMolcas. %setup -q -n %{name}-v%{version}-%{commit} %patch0 -p1 -b .fedora %patch1 -p1 -b .pymodule +%patch2 -p1 -b .inttype
# Name of OpenBLAS library to use is %if 0%{?fedora} >= 33
commit eb605ed5c9e198c599adb007b38c94c3c8a59f9f Author: Susi Lehtola jussilehtola@fedoraproject.org Date: Thu Feb 18 16:40:32 2021 +0100
Directory name
diff --git a/OpenMolcas.spec b/OpenMolcas.spec index e66b065..ff28a52 100644 --- a/OpenMolcas.spec +++ b/OpenMolcas.spec @@ -1,5 +1,5 @@ # git commit appears in the directory name of the tarball... -%global commit 01fe7a2bdca51c51d183f3061b0ee9c631bf9bec +%global commit 41cee871945ac712e86ee971425a49a8fc60a936
Name: OpenMolcas Version: 21.02
commit 114ffbb0da82a48efad19c646bb06c05f6d89ca1 Author: Susi Lehtola jussilehtola@fedoraproject.org Date: Thu Feb 18 16:32:11 2021 +0100
Update to 21.02.
diff --git a/.gitignore b/.gitignore index 520d306..887e37f 100644 --- a/.gitignore +++ b/.gitignore @@ -2,3 +2,4 @@ /OpenMolcas-18.09.tar.gz /OpenMolcas-19.11.tar.gz /OpenMolcas-20.10.tar.bz2 +/OpenMolcas-21.02.tar.bz2 diff --git a/OpenMolcas-20.10-fedora.patch b/OpenMolcas-21.02-fedora.patch similarity index 71% rename from OpenMolcas-20.10-fedora.patch rename to OpenMolcas-21.02-fedora.patch index 58a30d6..41cd6fc 100644 --- a/OpenMolcas-20.10-fedora.patch +++ b/OpenMolcas-21.02-fedora.patch @@ -1,27 +1,26 @@ -diff -up OpenMolcas-v20.10-01fe7a2bdca51c51d183f3061b0ee9c631bf9bec/CMakeLists.txt.fedora OpenMolcas-v20.10-01fe7a2bdca51c51d183f3061b0ee9c631bf9bec/CMakeLists.txt ---- OpenMolcas-v20.10-01fe7a2bdca51c51d183f3061b0ee9c631bf9bec/CMakeLists.txt.fedora 2020-10-14 13:55:26.000000000 +0200 -+++ OpenMolcas-v20.10-01fe7a2bdca51c51d183f3061b0ee9c631bf9bec/CMakeLists.txt 2020-11-07 18:47:26.497112461 +0100 -@@ -559,9 +559,18 @@ if (${CMAKE_SYSTEM_NAME} STREQUAL "Linux - set (PLATFORM "LINUX64") - elseif (${CMAKE_SYSTEM_PROCESSOR} STREQUAL "ia64") - set (PLATFORM "LINUX64_IA") -- elseif ((${CMAKE_SYSTEM_PROCESSOR} STREQUAL "ppc_64") OR -+ elseif ((${CMAKE_SYSTEM_PROCESSOR} STREQUAL "ppc64") OR -+ (${CMAKE_SYSTEM_PROCESSOR} STREQUAL "ppc_64") OR - (${CMAKE_SYSTEM_PROCESSOR} STREQUAL "ppc64le")) - set (PLATFORM "PPC64") -+ elseif (${CMAKE_SYSTEM_PROCESSOR} STREQUAL "armv7l") -+ set (PLATFORM "LINUX_ARMV7") -+ elseif (${CMAKE_SYSTEM_PROCESSOR} STREQUAL "aarch64") -+ set (PLATFORM "LINUX_AARCH64") -+ elseif (${CMAKE_SYSTEM_PROCESSOR} STREQUAL "s390x") -+ set (PLATFORM "LINUX_S390X") -+ else () -+ message(FATAL_ERROR "Architecture not supported by build system") - endif () +diff -up OpenMolcas-v21.02-41cee871945ac712e86ee971425a49a8fc60a936/CMakeLists.txt.fedora OpenMolcas-v21.02-41cee871945ac712e86ee971425a49a8fc60a936/CMakeLists.txt +--- OpenMolcas-v21.02-41cee871945ac712e86ee971425a49a8fc60a936/CMakeLists.txt.fedora 2021-02-14 22:06:46.000000000 +0100 ++++ OpenMolcas-v21.02-41cee871945ac712e86ee971425a49a8fc60a936/CMakeLists.txt 2021-02-18 16:29:03.764683691 +0100 +@@ -435,17 +435,7 @@ message ("-- ADDRMODE: ${ADDRMODE}") + # platform settings + if (${CMAKE_SYSTEM_NAME} STREQUAL "Linux") + add_compile_definitions (_LINUX_) +- if (${CMAKE_SYSTEM_PROCESSOR} STREQUAL "x86" OR +- ${CMAKE_SYSTEM_PROCESSOR} STREQUAL "i686") +- set (PLATFORM "LINUX") +- elseif (${CMAKE_SYSTEM_PROCESSOR} STREQUAL "x86_64") +- set (PLATFORM "LINUX64") +- elseif (${CMAKE_SYSTEM_PROCESSOR} STREQUAL "ia64") +- set (PLATFORM "LINUX64_IA") +- elseif (${CMAKE_SYSTEM_PROCESSOR} STREQUAL "ppc_64" OR +- ${CMAKE_SYSTEM_PROCESSOR} STREQUAL "ppc64le") +- set (PLATFORM "PPC64") +- endif () ++ set (PLATFORM "LINUX") elseif (${CMAKE_SYSTEM_NAME} STREQUAL "Darwin") - add_definitions (-D_LINUX_ -D_DARWIN_) -@@ -617,37 +626,37 @@ endif () + add_compile_definitions (_LINUX_ _DARWIN_) + set (CMAKE_MACOSX_RPATH 0) +@@ -502,38 +492,38 @@ endif () # defines __GNUC__ # C++ compiler list (APPEND SUPPORTED_CXX_COMPILERS "GNU") @@ -59,12 +58,12 @@ diff -up OpenMolcas-v20.10-01fe7a2bdca51c51d183f3061b0ee9c631bf9bec/CMakeLists.t +#set (CFLAGS_GNU_FAST "-O2") # Fortran compiler list (APPEND SUPPORTED_Fortran_COMPILERS "GNU") --set (FFLAGS_GNU_BASIC "") +-set (FFLAGS_GNU_BASIC "-fno-aggressive-loop-optimizations") # Or Work is assumed to be 8 elements long -set (FFLAGS_GNU_PREPROCESS "-cpp") -set (FFLAGS_GNU_OPENMP "-fopenmp") -set (FFLAGS_GNU_NO_OPENMP "-fmax-stack-var-size=1048576") -set (FFLAGS_GNU_ILP64 "-fdefault-integer-8") -+#set (FFLAGS_GNU_BASIC "") ++#set (FFLAGS_GNU_BASIC "-fno-aggressive-loop-optimizations") # Or Work is assumed to be 8 elements long +#set (FFLAGS_GNU_PREPROCESS "-cpp") +#set (FFLAGS_GNU_OPENMP "-fopenmp") +#set (FFLAGS_GNU_NO_OPENMP "-fmax-stack-var-size=1048576") @@ -75,15 +74,17 @@ diff -up OpenMolcas-v20.10-01fe7a2bdca51c51d183f3061b0ee9c631bf9bec/CMakeLists.t -set (FFLAGS_GNU_RELWITHDEBINFO "-O2 -g -Wall") -set (FFLAGS_GNU_RELEASE "-O2") -set (FFLAGS_GNU_FAST "-O3") +-set (FFLAGS_GNU_BOUNDS "-fsanitize=address -fno-omit-frame-pointer") +#set (FFLAGS_GNU_DEBUG "-O0 -g -Wall") +#set (FFLAGS_GNU_GARBLE "-O2 -g -Wall -finit-real=snan -finit-integer=730432726 -fno-unsafe-math-optimizations -frounding-math -fsignaling-nans") +#set (FFLAGS_GNU_RELWITHDEBINFO "-O2 -g -Wall") +#set (FFLAGS_GNU_RELEASE "-O2") +#set (FFLAGS_GNU_FAST "-O3") ++#set (FFLAGS_GNU_BOUNDS "-fsanitize=address -fno-omit-frame-pointer")
- if (CMAKE_Fortran_COMPILER_ID STREQUAL "GNU") - # Fix for GNU Fortran compiler version >= 4.8 to prevent wrong optimization -@@ -667,10 +676,10 @@ if (CMAKE_Fortran_COMPILER_ID STREQUAL " + set (MIN_GCC_VERSION "4.8") + if (CMAKE_Fortran_COMPILER_ID STREQUAL "GNU" AND +@@ -554,10 +544,10 @@ if (CMAKE_Fortran_COMPILER_ID STREQUAL " endif () endif ()
@@ -98,7 +99,7 @@ diff -up OpenMolcas-v20.10-01fe7a2bdca51c51d183f3061b0ee9c631bf9bec/CMakeLists.t
#======================================# # LLVM C frontend (Clang) -@@ -678,27 +687,27 @@ set (GNU_TRAP "-ffpe-trap=invalid,zero,o +@@ -565,27 +555,27 @@ set (GNU_TRAP "-ffpe-trap=invalid,zero,o # defines __clang__ # C++ compiler list (APPEND SUPPORTED_CXX_COMPILERS "Clang") @@ -143,7 +144,7 @@ diff -up OpenMolcas-v20.10-01fe7a2bdca51c51d183f3061b0ee9c631bf9bec/CMakeLists.t #set (Clang_TRAP "???")
#======================================# -@@ -1455,66 +1464,14 @@ if (LINALG STREQUAL "OpenBLAS") +@@ -1305,66 +1295,14 @@ if (LINALG STREQUAL "OpenBLAS") message ("-- Using OpenBLAS LAPACK+BLAS libraries")
# find out what OPENBLASROOT is @@ -212,18 +213,18 @@ diff -up OpenMolcas-v20.10-01fe7a2bdca51c51d183f3061b0ee9c631bf9bec/CMakeLists.t endif ()
# here we check if LIBOPENBLAS has changed after it was processed -@@ -2826,8 +2783,8 @@ if (BOUNDS AND (${FFLAGS_GNU_BOUNDS} MAT - endif () +@@ -2810,8 +2748,8 @@ add_custom_target (only_objs + )
# set up proper RPATH for executables, use RUNPATH if on Linux -set (CMAKE_INSTALL_RPATH "${CMAKE_INSTALL_PREFIX}/lib") --set (CMAKE_INSTALL_RPATH_USE_LINK_PATH TRUE) +-set (CMAKE_INSTALL_RPATH_USE_LINK_PATH "TRUE") +#set (CMAKE_INSTALL_RPATH "${CMAKE_INSTALL_PREFIX}/lib") -+#set (CMAKE_INSTALL_RPATH_USE_LINK_PATH TRUE) ++#set (CMAKE_INSTALL_RPATH_USE_LINK_PATH "TRUE")
+ # build the standard programs foreach (prog ${progs}) - # FIXME: Actual program target only depends on main file now, but if -@@ -3028,11 +2985,11 @@ endif () +@@ -2983,11 +2921,11 @@ endif () # find the molcas.driver script or use a dummy driver if (DEFINED EXTRA_DIR) set (MOLCAS_DRIVER "${EXTRA_DIR}/sbin/molcas.driver") @@ -238,9 +239,9 @@ diff -up OpenMolcas-v20.10-01fe7a2bdca51c51d183f3061b0ee9c631bf9bec/CMakeLists.t +# RESULT_VARIABLE INSTALL_DRIVER_RC +# ) if (INSTALL_DRIVER_RC) - message (FATAL_ERROR "Failed to install the Molcas driver") + message (FATAL_ERROR "Failed to install the Molcas driver.") endif () -@@ -3076,10 +3033,10 @@ endif () +@@ -3031,10 +2969,10 @@ endif () # install git hooks if (EXISTS ${GIT}) foreach (BASE_DIR ${basedirs}) @@ -255,7 +256,7 @@ diff -up OpenMolcas-v20.10-01fe7a2bdca51c51d183f3061b0ee9c631bf9bec/CMakeLists.t endforeach () endif ()
-@@ -3087,12 +3044,12 @@ endif () +@@ -3042,12 +2980,12 @@ endif () if (DEFINED EXTRA_DIR) file (WRITE ${PROJECT_BINARY_DIR}/xbin.cfg "PLATFORM = ${PLATFORM}\n")
@@ -274,7 +275,7 @@ diff -up OpenMolcas-v20.10-01fe7a2bdca51c51d183f3061b0ee9c631bf9bec/CMakeLists.t if (GETEMIL_DESCRIBE_RC) message (FATAL_ERROR "Failed to fetch Molcas binary: ${GETEMIL_DESCRIBE_ERROR}") endif () -@@ -3145,11 +3102,11 @@ add_dependencies (mods_obj prgms) +@@ -3100,11 +3038,11 @@ add_dependencies (mods_obj prgms)
# generate help databases from doc if (PYTHONINTERP_FOUND) @@ -291,7 +292,7 @@ diff -up OpenMolcas-v20.10-01fe7a2bdca51c51d183f3061b0ee9c631bf9bec/CMakeLists.t if (EXTRACT_ERROR) message (FATAL_ERROR "Running "extract_xmldoc.py" failed: ${EXTRACT_ERROR}") endif () -@@ -3157,11 +3114,11 @@ if (PYTHONINTERP_FOUND) +@@ -3112,11 +3050,11 @@ if (PYTHONINTERP_FOUND) find_program (XMLLINT "xmllint") mark_as_advanced (FORCE XMLLINT) if (XMLLINT) @@ -308,43 +309,4 @@ diff -up OpenMolcas-v20.10-01fe7a2bdca51c51d183f3061b0ee9c631bf9bec/CMakeLists.t if (XMLLINT_ERROR) message (FATAL_ERROR "Extracted XML file is malformed: ${XMLLINT_ERROR}") endif () -@@ -3293,7 +3250,7 @@ if (DEFINED PYMOLCAS_TARGET) - RENAME pymolcas - ) - -- install (CODE "execute_process(COMMAND ${OPENMOLCAS_DIR}/sbin/install_pymolcas.sh ${PYMOLCAS_TARGET})") -+# install (CODE "execute_process(COMMAND ${OPENMOLCAS_DIR}/sbin/install_pymolcas.sh ${PYMOLCAS_TARGET})") - endif () - - install (DIRECTORY -@@ -3322,7 +3279,7 @@ if (DEFINED EXTRA_DIR) - DESTINATION ${CMAKE_INSTALL_PREFIX}/bin - ) - -- install (CODE "execute_process(COMMAND ${OPENMOLCAS_DIR}/sbin/install_driver.sh ${MOLCAS_DRIVER})") -+# install (CODE "execute_process(COMMAND ${OPENMOLCAS_DIR}/sbin/install_driver.sh ${MOLCAS_DRIVER})") - endif () - - # Additional directories to install (from external projects) -@@ -3335,5 +3292,5 @@ foreach (dir ${EXTRA_INSTALL_DIRS}) - endforeach () - - if (IS_DIRECTORY "$ENV{HOME}/.Molcas") -- install (CODE "execute_process(COMMAND sh "-c" "cd ${CMAKE_INSTALL_PREFIX}; echo `pwd` > $HOME/.Molcas/molcas 2> /dev/null")") -+# install (CODE "execute_process(COMMAND sh "-c" "cd ${CMAKE_INSTALL_PREFIX}; echo `pwd` > $HOME/.Molcas/molcas 2> /dev/null")") - endif () -diff -up OpenMolcas-v20.10-01fe7a2bdca51c51d183f3061b0ee9c631bf9bec/Tools/pymolcas/CMakeLists.txt.fedora OpenMolcas-v20.10-01fe7a2bdca51c51d183f3061b0ee9c631bf9bec/Tools/pymolcas/CMakeLists.txt ---- OpenMolcas-v20.10-01fe7a2bdca51c51d183f3061b0ee9c631bf9bec/Tools/pymolcas/CMakeLists.txt.fedora 2020-10-14 13:55:26.000000000 +0200 -+++ OpenMolcas-v20.10-01fe7a2bdca51c51d183f3061b0ee9c631bf9bec/Tools/pymolcas/CMakeLists.txt 2020-11-07 18:41:45.615780086 +0100 -@@ -53,7 +53,7 @@ add_custom_target (pymolcas ALL - DEPENDS ${PYMOLCAS_TARGET} - ) - --add_custom_command (TARGET pymolcas --POST_BUILD -- COMMAND ${OPENMOLCAS_DIR}/sbin/install_pymolcas.sh ${PYMOLCAS_TARGET} -- ) -+#add_custom_command (TARGET pymolcas -+#POST_BUILD -+# COMMAND ${OPENMOLCAS_DIR}/sbin/install_pymolcas.sh ${PYMOLCAS_TARGET} -+# ) +diff -up OpenMolcas-v21.02-41cee871945ac712e86ee971425a49a8fc60a936/Tools/pymolcas/CMakeLists.txt.fedora OpenMolcas-v21.02-41cee871945ac712e86ee971425a49a8fc60a936/Tools/pymolcas/CMakeLists.txt diff --git a/OpenMolcas.spec b/OpenMolcas.spec index 7dd678e..e66b065 100644 --- a/OpenMolcas.spec +++ b/OpenMolcas.spec @@ -2,15 +2,15 @@ %global commit 01fe7a2bdca51c51d183f3061b0ee9c631bf9bec
Name: OpenMolcas -Version: 20.10 -Release: 2%{?dist} +Version: 21.02 +Release: 1%{?dist} Summary: A multiconfigurational quantum chemistry software package License: LGPLv2 URL: https://gitlab.com/Molcas/OpenMolcas Source0: https://gitlab.com/Molcas/OpenMolcas/-/archive/v%%7Bversion%7D/%%7Bname%7D-%...
# Fedora patches -Patch0: OpenMolcas-20.10-fedora.patch +Patch0: OpenMolcas-21.02-fedora.patch # Read python modules from system directory Patch1: OpenMolcas-19.11-pymodule.patch
@@ -130,6 +130,9 @@ cp -p Tools/pymolcas/pymolcas.py %{buildroot}%{_bindir}/pymolcas %{_bindir}/pymolcas
%changelog +* Thu Feb 18 2021 Susi Lehtola jussilehtola@fedoraproject.org - 21.02-1 +- Update to release 21.02. + * Mon Jan 25 2021 Fedora Release Engineering releng@fedoraproject.org - 20.10-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_34_Mass_Rebuild
diff --git a/sources b/sources index b995c6f..2813072 100644 --- a/sources +++ b/sources @@ -1 +1 @@ -SHA512 (OpenMolcas-20.10.tar.bz2) = 8c4d28ca66b5692a786517bb614012c2e899ae85fea22012884a9a95ae210f247406703fce975575f9c5bcba432fdf02012ac24f409808013bc2b25aad688245 +SHA512 (OpenMolcas-21.02.tar.bz2) = 234d216697fefa0f7aa770f379a4715038599e2ac56bdf7dba09c941cc68d8e00501cee226ea61c127c92f15a348fdfb3fcaa6de1e4ff21811d6136629edfae5
commit ad8ec4037c403d3ce3dd634ffa833d4e04a7bd72 Author: Fedora Release Engineering releng@fedoraproject.org Date: Mon Jan 25 22:34:58 2021 +0000
- Rebuilt for https://fedoraproject.org/wiki/Fedora_34_Mass_Rebuild
Signed-off-by: Fedora Release Engineering releng@fedoraproject.org
diff --git a/OpenMolcas.spec b/OpenMolcas.spec index 685e7f4..7dd678e 100644 --- a/OpenMolcas.spec +++ b/OpenMolcas.spec @@ -3,7 +3,7 @@
Name: OpenMolcas Version: 20.10 -Release: 1%{?dist} +Release: 2%{?dist} Summary: A multiconfigurational quantum chemistry software package License: LGPLv2 URL: https://gitlab.com/Molcas/OpenMolcas @@ -130,6 +130,9 @@ cp -p Tools/pymolcas/pymolcas.py %{buildroot}%{_bindir}/pymolcas %{_bindir}/pymolcas
%changelog +* Mon Jan 25 2021 Fedora Release Engineering releng@fedoraproject.org - 20.10-2 +- Rebuilt for https://fedoraproject.org/wiki/Fedora_34_Mass_Rebuild + * Sat Nov 07 2020 Susi Lehtola jussilehtola@fedoraproject.org - 20.10-1 - Update to release 20.10.
commit a1647e1025f787f646af4351f54006086f09875f Author: Tom Stellard tstellar@redhat.com Date: Sat Jan 9 03:39:18 2021 +0000
Add BuildRequires: make
https://fedoraproject.org/wiki/Changes/Remove_make_from_BuildRoot
diff --git a/OpenMolcas.spec b/OpenMolcas.spec index 163ec37..685e7f4 100644 --- a/OpenMolcas.spec +++ b/OpenMolcas.spec @@ -14,6 +14,7 @@ Patch0: OpenMolcas-20.10-fedora.patch # Read python modules from system directory Patch1: OpenMolcas-19.11-pymodule.patch
+BuildRequires: make BuildRequires: cmake BuildRequires: gcc-gfortran %if 0%{?fedora} >= 33