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From: Susi Lehtola <jussilehtola@fedoraproject.org>
To: git-commits@fedoraproject.org
Subject: [rpms/OpenMolcas] rawhide: Update to 26.06.
Date: Thu, 23 Jul 2026 12:32:19 GMT	[thread overview]
Message-ID: <178480993963.1.13490094954513282513.rpms-OpenMolcas-e6b5c0f1ff31@fedoraproject.org> (raw)

A new commit has been pushed.

Repo   : rpms/OpenMolcas
Branch : rawhide
Commit : e6b5c0f1ff310ffea3bbf1cd0946c12b20ec5ac7
Author : Susi Lehtola <jussilehtola@fedoraproject.org>
Date   : 2026-07-23T12:32:07+00:00
Stats  : +211/-359 in 6 file(s)
URL    : https://src.fedoraproject.org/rpms/OpenMolcas/c/e6b5c0f1ff310ffea3bbf1cd0946c12b20ec5ac7?branch=rawhide

Log:
Update to 26.06.

---
diff --git a/.gitignore b/.gitignore
index 9bc06af..68ec799 100644
--- a/.gitignore
+++ b/.gitignore
@@ -18,3 +18,5 @@
 /OpenMolcas-25.06.tar.bz2
 /OpenMolcas-25.10.tar.bz2
 /OpenMolcas-26.02.tar.bz2
+/OpenMolcas-26.06.tar.bz2
+/OpenMolcas-v26.06.tar.bz2

diff --git a/803.patch b/803.patch
deleted file mode 100644
index 3c4045d..0000000
--- a/803.patch
+++ /dev/null
@@ -1,154 +0,0 @@
-From b45b1721b7c0a801fa75f97981624028ea774928 Mon Sep 17 00:00:00 2001
-From: Susi Lehtola <susi.lehtola@gmail.com>
-Date: Mon, 16 Jun 2025 17:51:40 +0300
-Subject: [PATCH 1/2] Make the ifdef more consistent and the code a bit more
- compact
-
----
- src/misc_util/sorting.F90 | 16 ++++++----------
- 1 file changed, 6 insertions(+), 10 deletions(-)
-
-diff --git a/src/misc_util/sorting.F90 b/src/misc_util/sorting.F90
-index 9275fa984b..e6c6b1c33a 100644
---- a/src/misc_util/sorting.F90
-+++ b/src/misc_util/sorting.F90
-@@ -131,15 +131,13 @@ function I1D_argsort(V,compare,algorithm) result(idx)
- 
-   idx = [(i,i=1,size(idx))]
- 
--# ifdef INTERNAL_PROC_ARG
--  call sort(idx,my_compare,algorithm_)
--# else
-+# ifndef INTERNAL_PROC_ARG
-   mod_iV => V
-   mod_comp_int => compare
-   call sort(idx,my_compare_iV,algorithm_)
--# endif
-+# else
-+  call sort(idx,my_compare,algorithm_)
- 
--# ifdef INTERNAL_PROC_ARG
-   contains
-   pure function my_compare(x,y)
-     logical(kind=iwp) :: my_compare
-@@ -167,15 +165,13 @@ function R1D_argsort(V,compare,algorithm) result(idx)
- 
-   idx = [(i,i=1,size(idx))]
- 
--# ifdef INTERNAL_PROC_ARG
--  call sort(idx,my_compare,algorithm_)
--# else
-+# ifndef INTERNAL_PROC_ARG
-   mod_rV => V
-   mod_comp_real => compare
-   call sort(idx,my_compare_rV,algorithm_)
--# endif
-+# else
-+  call sort(idx,my_compare,algorithm_)
- 
--# ifdef INTERNAL_PROC_ARG
-   contains
-   pure function my_compare(x,y)
-     logical(kind=iwp) :: my_compare
--- 
-GitLab
-
-
-From 5e985e59fb3a2220c76d4a2f71a6530fd58d04f7 Mon Sep 17 00:00:00 2001
-From: Susi Lehtola <susi.lehtola@gmail.com>
-Date: Mon, 16 Jun 2025 18:14:39 +0300
-Subject: [PATCH 2/2] Just drop the implementation that causes an issue on
- Fedora
-
----
- src/misc_util/sorting.F90 | 28 ----------------------------
- 1 file changed, 28 deletions(-)
-
-diff --git a/src/misc_util/sorting.F90 b/src/misc_util/sorting.F90
-index e6c6b1c33a..f9cf5f627f 100644
---- a/src/misc_util/sorting.F90
-+++ b/src/misc_util/sorting.F90
-@@ -20,9 +20,7 @@ private
- 
- #include "compiler_features.h"
- public :: algorithms, argsort, bubble_sort_trsh, sort, swap, tAlgorithm
--#ifndef INTERNAL_PROC_ARG
- public :: compare_int_t
--#endif
- 
- ! TODO: Should be changed to default construction in the future.
- ! As of July 2019 the Sun and PGI compiler have problems.
-@@ -87,12 +85,10 @@ interface argsort
-   module procedure :: I1D_argsort, R1D_argsort
- end interface
- 
--#ifndef INTERNAL_PROC_ARG
- integer(kind=iwp), pointer :: mod_iV(:)
- real(kind=wp), pointer :: mod_rV(:)
- procedure(compare_int_t), pointer :: mod_comp_int
- procedure(compare_real_t), pointer :: mod_comp_real
--#endif
- 
- interface swap
-   module procedure :: i_swap, r_swap
-@@ -100,7 +96,6 @@ end interface
- 
- contains
- 
--#ifndef INTERNAL_PROC_ARG
- pure function my_compare_iV(x,y)
-   logical(kind=iwp) :: my_compare_iV
-   integer(kind=iwp), intent(in) :: x, y
-@@ -112,7 +107,6 @@ pure function my_compare_rV(x,y)
-   integer(kind=iwp), intent(in) :: x, y
-   my_compare_rV = mod_comp_real(mod_rV(x),mod_rV(y))
- end function my_compare_rV
--#endif
- 
- function I1D_argsort(V,compare,algorithm) result(idx)
- 
-@@ -131,20 +125,9 @@ function I1D_argsort(V,compare,algorithm) result(idx)
- 
-   idx = [(i,i=1,size(idx))]
- 
--# ifndef INTERNAL_PROC_ARG
-   mod_iV => V
-   mod_comp_int => compare
-   call sort(idx,my_compare_iV,algorithm_)
--# else
--  call sort(idx,my_compare,algorithm_)
--
--  contains
--  pure function my_compare(x,y)
--    logical(kind=iwp) :: my_compare
--    integer(kind=iwp), intent(in) :: x, y
--    my_compare = compare(V(x),V(y))
--  end function my_compare
--# endif
- 
- end function I1D_argsort
- 
-@@ -165,20 +148,9 @@ function R1D_argsort(V,compare,algorithm) result(idx)
- 
-   idx = [(i,i=1,size(idx))]
- 
--# ifndef INTERNAL_PROC_ARG
-   mod_rV => V
-   mod_comp_real => compare
-   call sort(idx,my_compare_rV,algorithm_)
--# else
--  call sort(idx,my_compare,algorithm_)
--
--  contains
--  pure function my_compare(x,y)
--    logical(kind=iwp) :: my_compare
--    integer(kind=iwp), intent(in) :: x, y
--    my_compare = compare(V(x),V(y))
--  end function my_compare
--# endif
- 
- end function R1D_argsort
- 
--- 
-GitLab
-

diff --git a/OpenMolcas-23.06-fedora.patch b/OpenMolcas-23.06-fedora.patch
deleted file mode 100644
index 4231a68..0000000
--- a/OpenMolcas-23.06-fedora.patch
+++ /dev/null
@@ -1,192 +0,0 @@
-diff -up OpenMolcas-v23.06-1cda3772686cbf99a4af695929a12d563c795ca2/CMakeLists.txt.fedora OpenMolcas-v23.06-1cda3772686cbf99a4af695929a12d563c795ca2/CMakeLists.txt
---- OpenMolcas-v23.06-1cda3772686cbf99a4af695929a12d563c795ca2/CMakeLists.txt.fedora	2023-06-12 11:58:03.000000000 +0000
-+++ OpenMolcas-v23.06-1cda3772686cbf99a4af695929a12d563c795ca2/CMakeLists.txt	2023-06-15 14:01:58.621033421 +0000
-@@ -419,17 +419,7 @@ 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_compile_definitions (_LINUX_ _DARWIN_ _DARWIN_C_SOURCE)
-   set (CMAKE_MACOSX_RPATH 0)
-@@ -457,7 +447,11 @@ endif ()
- #                                                                              #
- ################################################################################
- 
--include (${PROJECT_SOURCE_DIR}/cmake/compilers.cmake)
-+# Disable in Fedora
-+#include (${PROJECT_SOURCE_DIR}/cmake/compilers.cmake)
-+set (CXXCID ${CMAKE_CXX_COMPILER_ID})
-+set (CCID ${CMAKE_C_COMPILER_ID})
-+set (FCID ${CMAKE_Fortran_COMPILER_ID})
- 
- # Generate the actual flags used in the build
- #============================================
-@@ -646,6 +640,8 @@ if (HDF5)
-       message ("-- HDF5 not found, it will be deactivated")
-     endif ()
-   endif ()
-+else()
-+  message("HDF5 support not enabled")
- endif ()
- 
- # BLAS/LAPACK settings
-@@ -867,66 +863,14 @@ if (LINALG STREQUAL "OpenBLAS")
-   message ("-- Using OpenBLAS LAPACK+BLAS libraries")
- 
-   # find out what OPENBLASROOT is
--  mark_as_advanced (CLEAR OPENBLASROOT)
--  if (OPENBLASROOT STREQUAL "")
--    set (OPENBLASROOT $ENV{OPENBLASROOT} CACHE PATH "OpenBLAS root directory." FORCE)
--    if (NOT OPENBLASROOT)
--      message (FATAL_ERROR
--               "You must set environment variable OPENBLASROOT, "
--               "or specify -DOPENBLASROOT=/path/to/openblas_dir "
--               "when running cmake.")
--    endif ()
--  endif ()
--  # at this point, OPENBLASROOT should be defined and not empty
--  message ("-- OPENBLASROOT = ${OPENBLASROOT}")
--
--  # here we check if OPENBLASROOT has changed after it was last used
--  # succesfully, if so then we need to reprocess the checks here.
--  if (NOT OPENBLASROOT STREQUAL OPENBLASROOT_LAST)
--    # we need to redo the library search later, because OPENBLASROOT
--    # changed since the last time we defined it.
--    unset (LIBOPENBLAS CACHE)
--    # check if the configuration header is available
--    set (OPENBLAS_CONFIG "${OPENBLASROOT}/include/openblas_config.h")
--    if (NOT EXISTS ${OPENBLAS_CONFIG})
--      # for system-wide OpenBLAS installations the config path might be different
--      # so try with an alternative path
--      set (OPENBLAS_CONFIG "${OPENBLASROOT}/include/openblas/openblas_config.h")
--    endif ()
--    if (NOT EXISTS ${OPENBLAS_CONFIG})
--      message (FATAL_ERROR
--               "Could not find OpenBLAS config header in: ${OPENBLASROOT} "
--               "(tried ${OPENBLASROOT}/include/openblas_config.h and "
--               "please check if the OPENBLASROOT variable points to a "
--               "valid OpenBLAS installation directory.")
--    endif ()
--    # check if the OpenBLAS installation was configured with 64bit integer support
--    message ("-- Checking OpenBLAS for 64-bit integer interface...")
--    include (CheckSymbolExists)
--    unset (OPENBLAS_WITH_ILP64 CACHE)
--    check_symbol_exists ("OPENBLAS_USE64BITINT" ${OPENBLAS_CONFIG} OPENBLAS_WITH_ILP64)
--    if (ADDRMODE EQUAL 64 AND NOT OPENBLAS_WITH_ILP64)
--      message (FATAL_ERROR
--               "OpenBLAS was not configured for 64-bit integer interface, "
--               "please build OpenBLAS with INTERFACE64=1 defined.")
--    endif ()
--    # save the last location to check if it changed between configurations
--    set (OPENBLASROOT_LAST ${OPENBLASROOT} CACHE INTERNAL "last value." FORCE)
--  endif ()
--
-   # search for the OpenBLAS library
-   find_library (LIBOPENBLAS
--    NAMES openblas
--    PATHS ${OPENBLASROOT}
--    PATH_SUFFIXES lib
--    NO_DEFAULT_PATH
-+    NAMES flexiblas64
-   )
- 
-   if (NOT LIBOPENBLAS)
-     message (FATAL_ERROR
--             "OpenBLAS library not found, please check that "
--             "the OPENBLASROOT variable is set and points to "
--             "a valid OpenBLAS installation directory.")
-+             "OpenBLAS library not found, something is wrong.")
-   endif ()
- 
-   # here we check if LIBOPENBLAS has changed after it was processed
-@@ -2534,8 +2478,8 @@ add_custom_target (only_objs
- )
- 
- # set up proper RPATH for executables, use RUNPATH if on Linux
--set (CMAKE_INSTALL_RPATH "${CMAKE_INSTALL_PREFIX}/lib")
--set (CMAKE_INSTALL_RPATH_USE_LINK_PATH "TRUE")
-+#set (CMAKE_INSTALL_RPATH "${CMAKE_INSTALL_PREFIX}/lib")
-+#set (CMAKE_INSTALL_RPATH_USE_LINK_PATH "TRUE")
- 
- # build the standard programs
- foreach (prog ${progs})
-@@ -2720,11 +2664,11 @@ endif ()
- # find the molcas.driver script or use a dummy driver
- if (DEFINED EXTRA_DIR)
-   set (MOLCAS_DRIVER "${EXTRA_DIR}/sbin/molcas.driver")
--  execute_process (
--    COMMAND ${OPENMOLCAS_DIR}/sbin/install_driver.sh ${MOLCAS_DRIVER}
--    WORKING_DIRECTORY ${PROJECT_BINARY_DIR}
--    RESULT_VARIABLE INSTALL_DRIVER_RC
--  )
-+#  execute_process (
-+#    COMMAND ${OPENMOLCAS_DIR}/sbin/install_driver.sh ${MOLCAS_DRIVER}
-+#    WORKING_DIRECTORY ${PROJECT_BINARY_DIR}
-+#    RESULT_VARIABLE INSTALL_DRIVER_RC
-+#  )
-   if (INSTALL_DRIVER_RC)
-     message (FATAL_ERROR "Failed to install the Molcas driver.")
-   endif ()
-@@ -2768,10 +2712,10 @@ endif ()
- # install git hooks
- if (EXISTS ${GIT})
-   foreach (BASE_DIR ${basedirs})
--    execute_process (
--      COMMAND ${OPENMOLCAS_DIR}/sbin/install_hooks.sh ${BASE_DIR}
--      WORKING_DIRECTORY ${BASE_DIR}
--    )
-+#    execute_process (
-+#      COMMAND ${OPENMOLCAS_DIR}/sbin/install_hooks.sh ${BASE_DIR}
-+#      WORKING_DIRECTORY ${BASE_DIR}
-+#    )
-   endforeach ()
- endif ()
- 
-@@ -2779,12 +2723,12 @@ endif ()
- if (DEFINED EXTRA_DIR)
-   file (WRITE ${PROJECT_BINARY_DIR}/xbin.cfg "PLATFORM = ${PLATFORM}\n")
- 
--  execute_process (
--    COMMAND "${MOLCAS_DRIVER}" getemil
--    WORKING_DIRECTORY ${PROJECT_BINARY_DIR}
--    ERROR_VARIABLE GETEMIL_DESCRIBE_ERROR
--    RESULT_VARIABLE GETEMIL_DESCRIBE_RC
--  )
-+#  execute_process (
-+#    COMMAND "${MOLCAS_DRIVER}" getemil
-+#    WORKING_DIRECTORY ${PROJECT_BINARY_DIR}
-+#    ERROR_VARIABLE GETEMIL_DESCRIBE_ERROR
-+#    RESULT_VARIABLE GETEMIL_DESCRIBE_RC
-+#  )
-   if (GETEMIL_DESCRIBE_RC)
-     message (FATAL_ERROR "Failed to fetch Molcas binary: ${GETEMIL_DESCRIBE_ERROR}")
-   endif ()
-@@ -2849,11 +2793,11 @@ if (Python_FOUND)
-   find_program (XMLLINT "xmllint")
-   mark_as_advanced (FORCE XMLLINT)
-   if (XMLLINT)
--    execute_process (
--      COMMAND ${XMLLINT} ${PROJECT_BINARY_DIR}/data/keyword.xml "-noout"
--      ERROR_VARIABLE XMLLINT_ERROR
--      RESULT_VARIABLE XMLLINT_RESULT
--    )
-+#    execute_process (
-+#      COMMAND ${XMLLINT} ${PROJECT_BINARY_DIR}/data/keyword.xml "-noout"
-+#      ERROR_VARIABLE XMLLINT_ERROR
-+#      RESULT_VARIABLE XMLLINT_RESULT
-+#    )
-     if (XMLLINT_ERROR)
-       message (FATAL_ERROR "Extracted XML file is malformed: ${XMLLINT_ERROR}")
-     endif ()

diff --git a/OpenMolcas-26.06-fedora.patch b/OpenMolcas-26.06-fedora.patch
new file mode 100644
index 0000000..8097de7
--- /dev/null
+++ b/OpenMolcas-26.06-fedora.patch
@@ -0,0 +1,192 @@
+diff -up OpenMolcas-v26.06/CMakeLists.txt.fedora OpenMolcas-v26.06/CMakeLists.txt
+--- OpenMolcas-v26.06/CMakeLists.txt.fedora	2026-06-14 18:08:35.000000000 +0000
++++ OpenMolcas-v26.06/CMakeLists.txt	2026-07-23 11:33:56.589379382 +0000
+@@ -418,17 +418,7 @@ 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_compile_definitions (_LINUX_ _DARWIN_ _DARWIN_C_SOURCE)
+   set (CMAKE_MACOSX_RPATH 0)
+@@ -456,7 +446,11 @@ endif ()
+ #                                                                              #
+ ################################################################################
+ 
+-include (${PROJECT_SOURCE_DIR}/cmake/compilers.cmake)
++# Disable in Fedora
++#include (${PROJECT_SOURCE_DIR}/cmake/compilers.cmake)
++set (CXXCID ${CMAKE_CXX_COMPILER_ID})
++set (CCID ${CMAKE_C_COMPILER_ID})
++set (FCID ${CMAKE_Fortran_COMPILER_ID})
+ 
+ # Generate the actual flags used in the build
+ #============================================
+@@ -638,6 +632,8 @@ if (HDF5)
+       message ("-- HDF5 not found, it will be deactivated")
+     endif ()
+   endif ()
++else()
++  message("HDF5 support not enabled")
+ endif ()
+ 
+ # BLAS/LAPACK settings
+@@ -923,66 +919,14 @@ if (LINALG STREQUAL "OpenBLAS")
+   message ("-- Using OpenBLAS LAPACK+BLAS libraries")
+ 
+   # find out what OPENBLASROOT is
+-  mark_as_advanced (CLEAR OPENBLASROOT)
+-  if (OPENBLASROOT STREQUAL "")
+-    set (OPENBLASROOT $ENV{OPENBLASROOT} CACHE PATH "OpenBLAS root directory." FORCE)
+-    if (NOT OPENBLASROOT)
+-      message (FATAL_ERROR
+-               "You must set environment variable OPENBLASROOT, "
+-               "or specify -DOPENBLASROOT=/path/to/openblas_dir "
+-               "when running cmake.")
+-    endif ()
+-  endif ()
+-  # at this point, OPENBLASROOT should be defined and not empty
+-  message ("-- OPENBLASROOT = ${OPENBLASROOT}")
+-
+-  # here we check if OPENBLASROOT has changed after it was last used
+-  # succesfully, if so then we need to reprocess the checks here.
+-  if (NOT OPENBLASROOT STREQUAL OPENBLASROOT_LAST)
+-    # we need to redo the library search later, because OPENBLASROOT
+-    # changed since the last time we defined it.
+-    unset (LIBOPENBLAS CACHE)
+-    # check if the configuration header is available
+-    set (OPENBLAS_CONFIG "${OPENBLASROOT}/include/openblas_config.h")
+-    if (NOT EXISTS ${OPENBLAS_CONFIG})
+-      # for system-wide OpenBLAS installations the config path might be different
+-      # so try with an alternative path
+-      set (OPENBLAS_CONFIG "${OPENBLASROOT}/include/openblas/openblas_config.h")
+-    endif ()
+-    if (NOT EXISTS ${OPENBLAS_CONFIG})
+-      message (FATAL_ERROR
+-               "Could not find OpenBLAS config header in: ${OPENBLASROOT} "
+-               "(tried ${OPENBLASROOT}/include/openblas_config.h and "
+-               "please check if the OPENBLASROOT variable points to a "
+-               "valid OpenBLAS installation directory.")
+-    endif ()
+-    # check if the OpenBLAS installation was configured with 64bit integer support
+-    message ("-- Checking OpenBLAS for 64-bit integer interface...")
+-    include (CheckSymbolExists)
+-    unset (OPENBLAS_WITH_ILP64 CACHE)
+-    check_symbol_exists ("OPENBLAS_USE64BITINT" ${OPENBLAS_CONFIG} OPENBLAS_WITH_ILP64)
+-    if (ADDRMODE EQUAL 64 AND NOT OPENBLAS_WITH_ILP64)
+-      message (FATAL_ERROR
+-               "OpenBLAS was not configured for 64-bit integer interface, "
+-               "please build OpenBLAS with INTERFACE64=1 defined.")
+-    endif ()
+-    # save the last location to check if it changed between configurations
+-    set (OPENBLASROOT_LAST ${OPENBLASROOT} CACHE INTERNAL "last value." FORCE)
+-  endif ()
+-
+   # search for the OpenBLAS library
+   find_library (LIBOPENBLAS
+-    NAMES openblas
+-    PATHS ${OPENBLASROOT}
+-    PATH_SUFFIXES lib
+-    NO_DEFAULT_PATH
++    NAMES flexiblas64
+   )
+ 
+   if (NOT LIBOPENBLAS)
+     message (FATAL_ERROR
+-             "OpenBLAS library not found, please check that "
+-             "the OPENBLASROOT variable is set and points to "
+-             "a valid OpenBLAS installation directory.")
++             "OpenBLAS library not found, something is wrong.")
+   endif ()
+ 
+   # here we check if LIBOPENBLAS has changed after it was processed
+@@ -2688,8 +2632,8 @@ add_custom_target (only_objs
+ )
+ 
+ # set up proper RPATH for executables, use RUNPATH if on Linux
+-set (CMAKE_INSTALL_RPATH "${CMAKE_INSTALL_PREFIX}/lib")
+-set (CMAKE_INSTALL_RPATH_USE_LINK_PATH "TRUE")
++#set (CMAKE_INSTALL_RPATH "${CMAKE_INSTALL_PREFIX}/lib")
++#set (CMAKE_INSTALL_RPATH_USE_LINK_PATH "TRUE")
+ 
+ # build the standard programs
+ foreach (prog ${progs})
+@@ -2876,11 +2820,11 @@ endif ()
+ # find the molcas.driver script or use a dummy driver
+ if (DEFINED EXTRA_DIR)
+   set (MOLCAS_DRIVER "${EXTRA_DIR}/sbin/molcas.driver")
+-  execute_process (
+-    COMMAND ${OPENMOLCAS_DIR}/sbin/install_driver.sh ${MOLCAS_DRIVER}
+-    WORKING_DIRECTORY ${PROJECT_BINARY_DIR}
+-    RESULT_VARIABLE INSTALL_DRIVER_RC
+-  )
++#  execute_process (
++#    COMMAND ${OPENMOLCAS_DIR}/sbin/install_driver.sh ${MOLCAS_DRIVER}
++#    WORKING_DIRECTORY ${PROJECT_BINARY_DIR}
++#    RESULT_VARIABLE INSTALL_DRIVER_RC
++#  )
+   if (INSTALL_DRIVER_RC)
+     message (FATAL_ERROR "Failed to install the Molcas driver.")
+   endif ()
+@@ -2924,10 +2868,10 @@ endif ()
+ # install git hooks
+ if (EXISTS ${GIT})
+   foreach (BASE_DIR ${basedirs})
+-    execute_process (
+-      COMMAND ${OPENMOLCAS_DIR}/sbin/install_hooks.sh ${BASE_DIR}
+-      WORKING_DIRECTORY ${BASE_DIR}
+-    )
++#    execute_process (
++#      COMMAND ${OPENMOLCAS_DIR}/sbin/install_hooks.sh ${BASE_DIR}
++#      WORKING_DIRECTORY ${BASE_DIR}
++#    )
+   endforeach ()
+ endif ()
+ 
+@@ -2935,12 +2879,12 @@ endif ()
+ if (DEFINED EXTRA_DIR)
+   file (WRITE ${PROJECT_BINARY_DIR}/xbin.cfg "PLATFORM = ${PLATFORM}\n")
+ 
+-  execute_process (
+-    COMMAND "${MOLCAS_DRIVER}" getemil
+-    WORKING_DIRECTORY ${PROJECT_BINARY_DIR}
+-    ERROR_VARIABLE GETEMIL_DESCRIBE_ERROR
+-    RESULT_VARIABLE GETEMIL_DESCRIBE_RC
+-  )
++#  execute_process (
++#    COMMAND "${MOLCAS_DRIVER}" getemil
++#    WORKING_DIRECTORY ${PROJECT_BINARY_DIR}
++#    ERROR_VARIABLE GETEMIL_DESCRIBE_ERROR
++#    RESULT_VARIABLE GETEMIL_DESCRIBE_RC
++#  )
+   if (GETEMIL_DESCRIBE_RC)
+     message (FATAL_ERROR "Failed to fetch Molcas binary: ${GETEMIL_DESCRIBE_ERROR}")
+   endif ()
+@@ -3005,11 +2949,11 @@ if (Python_FOUND)
+   find_program (XMLLINT "xmllint")
+   mark_as_advanced (FORCE XMLLINT)
+   if (XMLLINT)
+-    execute_process (
+-      COMMAND ${XMLLINT} ${PROJECT_BINARY_DIR}/data/keyword.xml "-noout"
+-      ERROR_VARIABLE XMLLINT_ERROR
+-      RESULT_VARIABLE XMLLINT_RESULT
+-    )
++#    execute_process (
++#      COMMAND ${XMLLINT} ${PROJECT_BINARY_DIR}/data/keyword.xml "-noout"
++#      ERROR_VARIABLE XMLLINT_ERROR
++#      RESULT_VARIABLE XMLLINT_RESULT
++#    )
+     if (XMLINT_ERROR)
+       message (FATAL_ERROR "Extracted XML file is malformed: ${XMLLINT_ERROR}")
+     endif ()

diff --git a/OpenMolcas.spec b/OpenMolcas.spec
index aa48013..a1a2bec 100644
--- a/OpenMolcas.spec
+++ b/OpenMolcas.spec
@@ -1,20 +1,15 @@
-# git commit appears in the directory name of the tarball...
-%global commit 3cb6f2cd61a5d482611d85c47dcb61f8d51d50ba
-
 Name:           OpenMolcas
-Version:        26.02
-Release:        4%{?dist}
+Version:        26.06
+Release:        1%{?dist}
 Summary:        A multiconfigurational quantum chemistry software package
 License:        LGPL-2.1-only
 URL:            https://gitlab.com/Molcas/OpenMolcas
-Source0:        https://gitlab.com/Molcas/OpenMolcas/-/archive/v%{version}/%{name}-%{version}.tar.bz2
+Source0:        https://gitlab.com/Molcas/OpenMolcas/-/archive/v%{version}/%{name}-v%{version}.tar.bz2
 
 # Fedora patches
-Patch0:         OpenMolcas-23.06-fedora.patch
+Patch0:         OpenMolcas-26.06-fedora.patch
 # Read python modules from system directory
 Patch1:         OpenMolcas-19.11-pymodule.patch
-# Disable trampoline code that causes FTBFS in Fedora rawhide (f34)
-Patch3:         https://gitlab.com/Molcas/OpenMolcas/-/merge_requests/803.patch
 
 # https://fedoraproject.org/wiki/Changes/EncourageI686LeafRemoval
 ExcludeArch:    %{ix86}
@@ -51,7 +46,9 @@ decision of their authors (or impossibility to reach them), and are
 therefore not included in OpenMolcas.
 
 %prep
-%autosetup -p1 -n %{name}-v%{version}-%{commit}
+%setup -q -n %{name}-v%{version}
+%patch -P 0 -p1 -b .fedora
+%patch -P 1 -p1 -b .pymodule
 
 # Name of OpenBLAS library to use is
 %if 0%{?__isa_bits} == 64
@@ -68,8 +65,12 @@ sed -i 's|@MOLCAS_PYTHON@|%{_libdir}/%{name}/python|g' Tools/pymolcas/pymolcas.p
 
 
 %build
-export CFLAGS="%{optflags} -fopenmp -std=gnu99 -fPIC -Wtrampolines"
-export FFLAGS="%{optflags} -cpp -fopenmp -fdefault-integer-8 -fPIC -I%{_libdir}/gfortran/modules -Wtrampolines"
+# Nested internal procedures used as actual arguments (e.g. sorting.F90,
+# desym.F90) make gfortran emit stack trampolines, which force an executable
+# stack and break the hardened link. Allocate the trampolines on the heap
+# instead (GCC >= 14) to keep the reentrant closure code path.
+export CFLAGS="%{optflags} -fopenmp -std=gnu99 -fPIC -ftrampoline-impl=heap"
+export FFLAGS="%{optflags} -cpp -fopenmp -fdefault-integer-8 -fPIC -I%{_libdir}/gfortran/modules -ftrampoline-impl=heap"
 
 # GCC10 compatibility
 %if 0%{?fedora} > 31
@@ -115,6 +116,9 @@ cp -p Tools/pymolcas/pymolcas.py %{buildroot}%{_bindir}/pymolcas
 %{_bindir}/pymolcas
 
 %changelog
+* Thu Jul 23 2026 Susi Lehtola <jussilehtola@fedoraproject.org> - 26.06-1
+- Update to 26.06.
+
 * Wed Jul 15 2026 Fedora Release Engineering <releng@fedoraproject.org> - 26.02-4
 - Rebuilt for https://fedoraproject.org/wiki/Fedora_45_Mass_Rebuild
 

diff --git a/sources b/sources
index e4c46ed..d0424e1 100644
--- a/sources
+++ b/sources
@@ -1 +1 @@
-SHA512 (OpenMolcas-26.02.tar.bz2) = bc63497b1220da539f540dbbfc73801e7e2503e02384f11d7cf30f5bb69975044c9b33068a87eddd5f45fbf17415500ef154082876968592181defd50e6d1caa
+SHA512 (OpenMolcas-v26.06.tar.bz2) = d78c006ba7f9bcf7381116115fcc354c772e8f77187554eb7617ece195c49e68a04d5917dab1d6dbc52ae4fe03e0b70f938b53f2ae7958b3ff92c8677f5702b5

                 reply	other threads:[~2026-07-23 12:32 UTC|newest]

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