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=6c98385....
Change:
+ExclusiveArch: x86_64 aarch64 ppc64le s390x
Thanks.
Full change:
============
commit 6c9838556d3e305975dc6b9d219ceda0647e59da
Author: Susi Lehtola <jussilehtola(a)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(a)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(a)fedoraproject.org> - 20.10-2
commit 7c95d62f101d0edc6f8dedfde258823da7a2598d
Author: Susi Lehtola <jussilehtola(a)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%{version}/%{nam
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(a)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%{version}/%{nam
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(a)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(a)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(a)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(a)fedoraproject.org> - 21.02-1
+* Thu May 06 2021 Susi Lehtola <jussilehtola(a)fedoraproject.org> - 21.02-1
- Update to release 21.02.
* Mon Jan 25 2021 Fedora Release Engineering <releng(a)fedoraproject.org> - 20.10-2
commit b73cd68fcc06ccf4b6b3392ba412c4d99fceb373
Author: Tomas Hrnciar <thrnciar(a)redhat.com>
Date: Mon Apr 19 13:18:31 2021 +0200
BuildRequire setuptools explicitly
See
https://fedoraproject.org/wiki/Changes/Reduce_dependencies_on_python3-set...
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(a)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(a)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%{version}/%{nam
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(a)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(a)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%{version}/%{name}-%{vers...
# 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(a)fedoraproject.org> - 21.02-1
+- Update to release 21.02.
+
* Mon Jan 25 2021 Fedora Release Engineering <releng(a)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(a)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(a)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(a)fedoraproject.org> - 20.10-2
+- Rebuilt for
https://fedoraproject.org/wiki/Fedora_34_Mass_Rebuild
+
* Sat Nov 07 2020 Susi Lehtola <jussilehtola(a)fedoraproject.org> - 20.10-1
- Update to release 20.10.
commit a1647e1025f787f646af4351f54006086f09875f
Author: Tom Stellard <tstellar(a)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