Architecture specific change in rpms/mrchem.git

The package rpms/mrchem.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/mrchem.git/commit/?id=4f771467227b19....

Change:
+ExcludeArch:    ppc64le

Thanks.

Full change:
============

commit 946f3fd80caad73baf957db23505642efcf40d48
Author: Susi Lehtola 
Date:   Thu Jun 12 07:58:43 2025 +0000

Drop the bundled pyparsing module which causes a FTFBS in rawhide

diff --git a/mrchem-1.1.4-ompnamespace.patch b/mrchem-1.1.4-ompnamespace.patch
new file mode 100644
index 0000000..4018717
--- /dev/null
+++ b/mrchem-1.1.4-ompnamespace.patch
@@ -0,0 +1,15 @@
+diff -up mrchem-1.1.4/src/mrchem.cpp.ompnamespace mrchem-1.1.4/src/mrchem.cpp
+--- mrchem-1.1.4/src/mrchem.cpp.ompnamespace	2024-01-17 13:01:08.000000000 +0000
++++ mrchem-1.1.4/src/mrchem.cpp	2025-06-12 07:43:50.537403601 +0000
+@@ -78,9 +78,9 @@ int main(int argc, char **argv) {
+     // Provenance
+     json_out["provenance"] = {{"creator", "MRChem"},
+                               {"version", program_version()},
+-                              {"nthreads", omp::n_threads},
++                              {"nthreads", mrcpp::omp::n_threads},
+                               {"mpi_processes", mpi::world_size},
+-                              {"total_cores", mpi::world_size * omp::n_threads},
++                              {"total_cores", mpi::world_size * mrcpp::omp::n_threads},
+                               {"routine", "mrchem.x"}};
+     // Computed values
+     json_out["scf_calculation"] = scf_out;
diff --git a/mrchem-1.1.4-pyparsing.patch b/mrchem-1.1.4-pyparsing.patch
new file mode 100644
index 0000000..4dc9c1a
--- /dev/null
+++ b/mrchem-1.1.4-pyparsing.patch
@@ -0,0 +1,55 @@
+diff -up mrchem-1.1.4/python/mrchem/CUBEparser.py.pyparsing mrchem-1.1.4/python/mrchem/CUBEparser.py
+--- mrchem-1.1.4/python/mrchem/CUBEparser.py.pyparsing	2024-01-17 13:01:08.000000000 +0000
++++ mrchem-1.1.4/python/mrchem/CUBEparser.py	2025-06-12 07:26:52.393603766 +0000
+@@ -26,7 +26,7 @@
+ from json import dumps
+ from pathlib import Path
+ 
+-from .input_parser.plumbing import pyparsing as pp
++import pyparsing as pp
+ 
+ 
+ def write_cube_vectors(user_dict):
+diff -up mrchem-1.1.4/python/mrchem/input_parser/plumbing/atoms.py.pyparsing mrchem-1.1.4/python/mrchem/input_parser/plumbing/atoms.py
+--- mrchem-1.1.4/python/mrchem/input_parser/plumbing/atoms.py.pyparsing	2024-01-17 13:01:08.000000000 +0000
++++ mrchem-1.1.4/python/mrchem/input_parser/plumbing/atoms.py	2025-06-12 07:27:35.610829071 +0000
+@@ -31,17 +31,7 @@
+ 
+ import functools
+ from typing import Any, List, Union
+-
+-try:
+-    import pyparsing as pp
+-
+-    if pp.__version__.split(".")[0] < "3":
+-        # Import local copy
+-        from . import pyparsing as pp  # type: ignore
+-except ImportError:
+-    # Import local copy
+-    from . import pyparsing as pp  # type: ignore
+-
++import pyparsing as pp
+ 
+ TRUTHY = ["TRUE", "ON", "YES", "Y"]
+ """List[str]: List of true-like values."""
+diff -up mrchem-1.1.4/python/mrchem/input_parser/plumbing/getkw.py.pyparsing mrchem-1.1.4/python/mrchem/input_parser/plumbing/getkw.py
+--- mrchem-1.1.4/python/mrchem/input_parser/plumbing/getkw.py.pyparsing	2024-01-17 13:01:08.000000000 +0000
++++ mrchem-1.1.4/python/mrchem/input_parser/plumbing/getkw.py	2025-06-12 07:27:57.212441845 +0000
+@@ -41,16 +41,7 @@ from .atoms import (
+     unquoted_str_t,
+ )
+ 
+-try:
+-    import pyparsing as pp
+-
+-    if pp.__version__.split(".")[0] < "3":
+-        # Import local copy
+-        from . import pyparsing as pp  # type: ignore
+-except ImportError:
+-    # Import local copy
+-    from . import pyparsing as pp  # type: ignore
+-
++import pyparsing as pp
+ 
+ def grammar(*, has_complex: bool = False) -> pp.ParserElement:
+     """The Getkw recursive grammar.
diff --git a/mrchem.spec b/mrchem.spec
index 8a59e98..eafbfd9 100644
--- a/mrchem.spec
+++ b/mrchem.spec
@@ -14,6 +14,10 @@ Patch1:         mrchem-1.0.2-pythonpath.patch
 Patch2:         mrchem-1.1.0-rpath.patch
 # Re-enable creation of shared library
 Patch3:         mrchem-1.1.2-object.patch
+# Patch out bundled pyparsing
+Patch4:         mrchem-1.1.4-pyparsing.patch
+# Namespace fix
+Patch5:         mrchem-1.1.4-ompnamespace.patch

# mrcpp doesn't build on s390x which is not supported by upstream (BZ#2035671)
 ExcludeArch:    s390x
@@ -34,10 +38,14 @@ BuildRequires:  python3-devel
 BuildRequires:  xcfun-devel
 BuildRequires:  mrcpp-devel
 BuildRequires:  catch2-devel
+BuildRequires:  python3-pyparsing

# Eigen3 is a header-only library; this is for dependency tracking
 BuildRequires:  eigen3-static

+# Due to removal of bundled library
+Requires:       python3-pyparsing
+
 %description
 MRChem is a numerical real-space code for molecular electronic
 structure calculations within the self-consistent field (SCF)
@@ -80,8 +88,12 @@ This package contains the data files for MRChem.
 %patch -P1 -p1 -b .pythonpath
 %patch -P2 -p1 -b .rpath
 %patch -P3 -p1 -b .object
+%patch -P4 -p1 -b .pyparsing
+%patch -P5 -p1 -b .ompnamespace
 # Remove bundled catch
 rm -rf external/catch/
+# Remove bundled pyparsing
+rm -rf python/mrchem/input_parser/plumbing/pyparsing/

%build
 export CXXFLAGS="%{optflags} -I/usr/include/catch2"
@@ -122,6 +134,9 @@ EOF
 %{_datadir}/MRChem/

%changelog
+* Thu Jun 12 2025 Susi Lehtola  - 1.1.4-4
+- Drop the bundled pyparsing module which causes a FTBFS in rawhide.
+
 * Mon Jun 02 2025 Python Maint  - 1.1.4-3
 - Rebuilt for Python 3.14

commit 96240a1fe5a760ac1d6ceb3aeaa01fbd21b35de4
Author: Python Maint 
Date:   Mon Jun 2 19:58:13 2025 +0200

Rebuilt for Python 3.14

diff --git a/mrchem.spec b/mrchem.spec
index 4c0543c..8a59e98 100644
--- a/mrchem.spec
+++ b/mrchem.spec
@@ -1,6 +1,6 @@
 Name:           mrchem
 Version:        1.1.4
-Release:        2%{?dist}
+Release:        3%{?dist}
 Summary:        A numerical real-space code for molecular electronic structure calculations
 License:        LGPL-3.0-or-later
 URL:            https://github.com/MRChemSoft/mrchem/
@@ -122,6 +122,9 @@ EOF
 %{_datadir}/MRChem/

%changelog
+* Mon Jun 02 2025 Python Maint  - 1.1.4-3
+- Rebuilt for Python 3.14
+
 * Fri Jan 17 2025 Fedora Release Engineering  - 1.1.4-2
 - Rebuilt for https://fedoraproject.org/wiki/Fedora_42_Mass_Rebuild

commit 9daaa30635086a02544e987bdcb6c59bf4c0e230
Author: Fedora Release Engineering 
Date:   Fri Jan 17 19:17:21 2025 +0000

Rebuilt for https://fedoraproject.org/wiki/Fedora_42_Mass_Rebuild

diff --git a/mrchem.spec b/mrchem.spec
index 4c11a50..4c0543c 100644
--- a/mrchem.spec
+++ b/mrchem.spec
@@ -1,6 +1,6 @@
 Name:           mrchem
 Version:        1.1.4
-Release:        1%{?dist}
+Release:        2%{?dist}
 Summary:        A numerical real-space code for molecular electronic structure calculations
 License:        LGPL-3.0-or-later
 URL:            https://github.com/MRChemSoft/mrchem/
@@ -122,6 +122,9 @@ EOF
 %{_datadir}/MRChem/

%changelog
+* Fri Jan 17 2025 Fedora Release Engineering  - 1.1.4-2
+- Rebuilt for https://fedoraproject.org/wiki/Fedora_42_Mass_Rebuild
+
 * Wed Sep 04 2024 Susi Lehtola  - 1.1.4-1
 - Update to 1.1.4.

commit 31e0357255f925831347cdbab17c9df6ef45cfd3
Author: Susi Lehtola 
Date:   Thu Oct 31 16:41:12 2024 +0000

Switch to a patch syntax that works in both rawhide and epel

diff --git a/mrchem.spec b/mrchem.spec
index 98b2568..4c11a50 100644
--- a/mrchem.spec
+++ b/mrchem.spec
@@ -76,10 +76,10 @@ This package contains the data files for MRChem.
 %prep
 %setup -q
 # EPEL9 doesn't support the new patch syntax
-%patch0 -p1 -b .eigen3
-%patch1 -p1 -b .pythonpath
-%patch2 -p1 -b .rpath
-%patch3 -p1 -b .object
+%patch -P0 -p1 -b .eigen3
+%patch -P1 -p1 -b .pythonpath
+%patch -P2 -p1 -b .rpath
+%patch -P3 -p1 -b .object
 # Remove bundled catch
 rm -rf external/catch/

commit 92dd90e8368f275466eceaadae0c7a576e72f8b8
Author: Susi Lehtola 
Date:   Thu Oct 17 12:02:55 2024 +0000

Use old patch syntax for epel compatibility

diff --git a/mrchem.spec b/mrchem.spec
index 94ad442..98b2568 100644
--- a/mrchem.spec
+++ b/mrchem.spec
@@ -75,10 +75,11 @@ This package contains the data files for MRChem.

%prep
 %setup -q
-%patch 0 -p1 -b .eigen3
-%patch 1 -p1 -b .pythonpath
-%patch 2 -p1 -b .rpath
-%patch 3 -p1 -b .object
+# EPEL9 doesn't support the new patch syntax
+%patch0 -p1 -b .eigen3
+%patch1 -p1 -b .pythonpath
+%patch2 -p1 -b .rpath
+%patch3 -p1 -b .object
 # Remove bundled catch
 rm -rf external/catch/

commit 4f771467227b1989b42528772eefa1186de9e865
Author: Susi Lehtola 
Date:   Thu Oct 17 11:54:53 2024 +0000

Disable build on rhel9 ppc64le

diff --git a/mrchem.spec b/mrchem.spec
index 5e30b3f..94ad442 100644
--- a/mrchem.spec
+++ b/mrchem.spec
@@ -17,6 +17,10 @@ Patch3:         mrchem-1.1.2-object.patch

# mrcpp doesn't build on s390x which is not supported by upstream (BZ#2035671)
 ExcludeArch:    s390x
+%if 0%{?rhel} == 9
+# mrcpp compile fails on ppc64le
+ExcludeArch:    ppc64le
+%endif

# We need the data files
 Requires:       %{name}-data = %{version}-%{release}