From c6e69e6d3d6705a884b488145d9832e6417b2c33 Mon Sep 17 00:00:00 2001
From: Kevin Stratford <kevin@epcc.ed.ac.uk>
Date: Mon, 4 May 2026 12:04:33 +0100
Subject: [PATCH 01/15] Avoid probelmatic array constructors

---
 src/modules/TrajectoryIOModule.f90 | 125 +++++++++++++++++++----------
 1 file changed, 83 insertions(+), 42 deletions(-)

diff --git a/src/modules/TrajectoryIOModule.f90 b/src/modules/TrajectoryIOModule.f90
index 44264ca..5e6a93b 100644
--- a/src/modules/TrajectoryIOModule.f90
+++ b/src/modules/TrajectoryIOModule.f90
@@ -176,10 +176,7 @@ subroutine FMS_WriteFTrajDump(T)
       integer(DefInt), save :: units(MaxTrajLimit) = 0 ! this keeps track of the
       ! unit number of the files
 
-      integer(kind=DefInt) :: i, j
-
-1     format(a10, 4000a10)
-2     format(f10.2, 4000f10.4)
+      integer(kind=DefInt) :: i
 
       ntraj = T%TrajID
       iunit = units(ntraj)
@@ -194,21 +191,42 @@ subroutine FMS_WriteFTrajDump(T)
             open (newunit=iunit, file=trim(file_name), position='append')
          else
             open (newunit=iunit, file=trim(file_name))
-            write (iunit, 1) '# Time', ([ &
-                                        FMS_NumberedFileName('pos', i)//'x', &
-                                        FMS_NumberedFileName('pos', i)//'y', &
-                                        FMS_NumberedFileName('pos', i)//'z'], i=1, T%NumParticles), &
-               ([FMS_NumberedFileName('mom', i)//'x', &
-                 FMS_NumberedFileName('mom', i)//'y', &
-                 FMS_NumberedFileName('mom', i)//'z'], i=1, T%NumParticles), &
-               'Phase', 'AmpReal', 'AmpImag', 'AmpNorm', 'StateID'
+            ! Header.
+            ! The is a single line with columns for all particles.
+            ! " Time ... positions ... momenta ... phase ... stateID"
+            write (unit = iunit, fmt = '(a10)', advance = 'no') " # Time"
+            do i = 1, t%numParticles
+               write (unit = iunit, fmt = '(3(a10))', advance = 'no') &
+                    FMS_NumberedFileName('pos', i)//'x',              &
+                    FMS_NumberedFileName('pos', i)//'y',              &
+                    FMS_NumberedFileName('pos', i)//'z'
+            end do
+            do i = 1, t%numParticles
+               write (unit = iunit, fmt = '(3(a10))', advance = 'no') &
+                    FMS_NumberedFileName('mom', i)//'x',              &
+                    FMS_NumberedFileName('mom', i)//'y',              &
+                    FMS_NumberedFileName('mom', i)//'z'
+            end do
+            write (unit = iunit, fmt = '(5(a10))') &
+                 'Phase', 'AmpReal', 'AmpImag', 'AmpNorm', 'StateID'
+            ! Data to follow ...
          end if
          units(ntraj) = iunit
       end if
 
-      write (iunit, 2) T%get_time(), (T%Particle(i)%get_pos(), i=1, T%NumParticles), &
-         ((T%Particle(i)%get_mom(j), j=1, T%Particle(i)%NumDimensions), i=1, T%NumParticles), &
-         T%Phase, real(T%Amplitude), aimag(T%Amplitude), FMS_Weight(T), dble(T%StateID)
+      ! Data ...
+      ! (time is a f10.2 format; others are f10.4; stateID could be int)
+      write (unit = iunit, fmt = '(f10.2)', advance = 'no') t%get_time()
+      do i = 1, t%numParticles
+         write (unit = iunit, fmt = '(3(f10.4))', advance = 'no') &
+              t%particle(i)%get_pos()
+      end do
+      do i = 1, t%numParticles
+         write (unit = iunit, fmt = '(3(f10.4))', advance = 'no') &
+              t%particle(i)%get_mom()
+      end do
+      write (unit = iunit, fmt = '(5(f10.4))') &
+           t%phase, t%amplitude%re, t%amplitude%im, FMS_Weight(t), real(t%stateID)
 
    end subroutine FMS_WriteFTrajDump
 !>
@@ -715,14 +733,8 @@ subroutine FMS_WriteFDipole(T, file_name, first_time)
       integer(kind=DefInt) :: iunit
       logical :: file_existed
 
-      integer :: nstate
       integer(kind=DefInt) :: k
 
-1     format(a10, 50(a10))
-2     format(f10.2, 1000f11.6)
-
-      nstate = T%NumStates
-
       long_file_name = trim(FMSWorkingDir)//file_name
       file_existed = .true.
       if (first_time) then
@@ -731,11 +743,20 @@ subroutine FMS_WriteFDipole(T, file_name, first_time)
 
       if (.not. file_existed) then
          open (newunit=iunit, file=trim(long_file_name))
-         write (iUnit, 1) '#Time', &
-            (FMS_NumberedFileName('Mag', k), k=1, nstate), &
-            ([FMS_NumberedFileName('D', k)//'x', &
-              FMS_NumberedFileName('D', k)//'y', &
-              FMS_NumberedFileName('D', k)//'z'], k=1, nstate)
+         ! Header
+         ! "Time ... magnitudes ... components"
+         write (unit = iunit, fmt = '(a10)', advance = 'no') "#Time"
+         do k = 1, t%numStates
+            write (unit = iunit, fmt = '(a10)', advance = 'no') &
+                 FMS_NumberedFileName('Mag', k)
+         end do
+         do k = 1, t%numStates
+            write (unit = iunit, fmt = '(3(a10))', advance = 'no') &
+                 FMS_NumberedFileName('D', k)//'x',                &
+                 FMS_NumberedFileName('D', k)//'y',                &
+                 FMS_NumberedFileName('D', k)//'z'
+         end do
+         write (unit = iunit, fmt = *) ! end of header line
       else
          open (newunit=iunit, file=trim(long_file_name), position='append')
       end if
@@ -743,9 +764,16 @@ subroutine FMS_WriteFDipole(T, file_name, first_time)
       ! 4. Write dipoles,
       ! This was writing the square of the dipole, was that
       ! intentional?
-      write (IUnit, 2) T%get_time(), &
-         (sqrt(sum(FMS_Dipole(T, k)**2)), k=1, T%NumStates), &
-         (FMS_Dipole(T, k), k=1, T%NumStates)
+
+      do k = 1, t%numStates
+         write (unit = iunit, fmt = '(f11.6)', advance = 'no') &
+              sqrt(sum(FMS_Dipole(t, k)**2))
+      end do
+      do k = 1, t%numStates
+         write (unit = iunit, fmt = '(3(f11.6))', advance = 'no') &
+              FMS_Dipole(t, k)
+      end do
+      write (unit = iunit, fmt = *) ! end of data line
 
       close (IUnit)
 
@@ -893,31 +921,44 @@ subroutine FMS_WriteFTDipole(T)
       integer(DefInt) :: iunit
       integer(DefInt), save :: units(MaxTrajLimit) = 0 ! this keeps track of the
       logical :: file_existed
-      integer :: nstate, j
+      integer :: j
 
-1     format(a10, 50(a10))
-2     format(f10.2, 50(1x, f9.5))
-
-      nstate = T%NumStates
       iunit = units(T%TrajID)
 
       if (iunit == 0) then
          call FMS_OpenFile(FMS_NumberedFileName('TDip', T%TrajID), iunit, file_existed)
          if (.not. file_existed) then
-            write (iUnit, 1) '#Time', &
-               (FMS_NumberedFileName('Mag', j), j=2, nstate), &
-               ([FMS_NumberedFileName('TD', j)//'x', &
-                 FMS_NumberedFileName('TD', j)//'y', &
-                 FMS_NumberedFileName('TD', j)//'z'], j=2, nstate)
+            ! Header ...
+            write (unit = iunit, fmt = '(a10)', advance = 'no') "#Time"
+            do j = 2, t%numStates
+               write (unit = iunit, fmt = '(a10)', advance = 'no') &
+                    FMS_NumberedFileName('Mag', j)
+            end do
+            do j = 2, t%numStates
+               write (unit = iunit, fmt = '(3(a10))', advance = 'no') &
+               FMS_NumberedFileName('TD', j)//'x',                    &
+               FMS_NumberedFileName('TD', j)//'y',                    &
+               FMS_NumberedFileName('TD', j)//'z'
+            end do
+            write (unit = iunit, fmt = *) ! End of header line
          end if
          units(T%TrajID) = iunit
       end if
 
       ! 4. Write transition dipole
-      write (iunit, 2) T%get_time(), (sqrt(sum(FMS_TransDipole(T, j)**2)), j=2, nstate), &
-         (FMS_TransDipole(T, j), j=2, nstate)
 
-   end subroutine FMS_WriteFTDipole
+      write (unit = iunit, fmt = '(f10.2)', advance = 'no') t%get_time()
+      do j = 2, t%numStates
+         write (unit = iunit, fmt = '(1x,f9.5)', advance = 'no') &
+              sqrt(sum(FMS_TransDipole(t, j)**2))
+      end do
+      do j = 2, t%numStates
+         write (unit = iunit, fmt = '(3(1x,f9.5))', advance = 'no') &
+              FMS_TransDipole(t, j)
+      end do
+      write (unit = iunit, fmt = *) ! End of data line
+
+    end subroutine FMS_WriteFTDipole
 !>
 !!    Writes formatted potential energy data
 !!

From b9c85e432c651188ce31d2f210e60314f083967e Mon Sep 17 00:00:00 2001
From: Daniel Hollas <daniel.hollas@bristol.ac.uk>
Date: Tue, 19 May 2026 13:10:18 +0100
Subject: [PATCH 02/15] Autoformat + lint

---
 src/modules/TrajectoryIOModule.f90 | 92 +++++++++++++++---------------
 1 file changed, 46 insertions(+), 46 deletions(-)

diff --git a/src/modules/TrajectoryIOModule.f90 b/src/modules/TrajectoryIOModule.f90
index 5e6a93b..4f63280 100644
--- a/src/modules/TrajectoryIOModule.f90
+++ b/src/modules/TrajectoryIOModule.f90
@@ -194,21 +194,21 @@ subroutine FMS_WriteFTrajDump(T)
             ! Header.
             ! The is a single line with columns for all particles.
             ! " Time ... positions ... momenta ... phase ... stateID"
-            write (unit = iunit, fmt = '(a10)', advance = 'no') " # Time"
+            write (unit=iunit, fmt='(a10)', advance='no') ' # Time'
             do i = 1, t%numParticles
-               write (unit = iunit, fmt = '(3(a10))', advance = 'no') &
-                    FMS_NumberedFileName('pos', i)//'x',              &
-                    FMS_NumberedFileName('pos', i)//'y',              &
-                    FMS_NumberedFileName('pos', i)//'z'
+               write (unit=iunit, fmt='(3(a10))', advance='no') &
+                  FMS_NumberedFileName('pos', i)//'x', &
+                  FMS_NumberedFileName('pos', i)//'y', &
+                  FMS_NumberedFileName('pos', i)//'z'
             end do
             do i = 1, t%numParticles
-               write (unit = iunit, fmt = '(3(a10))', advance = 'no') &
-                    FMS_NumberedFileName('mom', i)//'x',              &
-                    FMS_NumberedFileName('mom', i)//'y',              &
-                    FMS_NumberedFileName('mom', i)//'z'
+               write (unit=iunit, fmt='(3(a10))', advance='no') &
+                  FMS_NumberedFileName('mom', i)//'x', &
+                  FMS_NumberedFileName('mom', i)//'y', &
+                  FMS_NumberedFileName('mom', i)//'z'
             end do
-            write (unit = iunit, fmt = '(5(a10))') &
-                 'Phase', 'AmpReal', 'AmpImag', 'AmpNorm', 'StateID'
+            write (unit=iunit, fmt='(5(a10))') &
+               'Phase', 'AmpReal', 'AmpImag', 'AmpNorm', 'StateID'
             ! Data to follow ...
          end if
          units(ntraj) = iunit
@@ -216,17 +216,17 @@ subroutine FMS_WriteFTrajDump(T)
 
       ! Data ...
       ! (time is a f10.2 format; others are f10.4; stateID could be int)
-      write (unit = iunit, fmt = '(f10.2)', advance = 'no') t%get_time()
+      write (unit=iunit, fmt='(f10.2)', advance='no') t%get_time()
       do i = 1, t%numParticles
-         write (unit = iunit, fmt = '(3(f10.4))', advance = 'no') &
-              t%particle(i)%get_pos()
+         write (unit=iunit, fmt='(3(f10.4))', advance='no') &
+            t%particle(i)%get_pos()
       end do
       do i = 1, t%numParticles
-         write (unit = iunit, fmt = '(3(f10.4))', advance = 'no') &
-              t%particle(i)%get_mom()
+         write (unit=iunit, fmt='(3(f10.4))', advance='no') &
+            t%particle(i)%get_mom()
       end do
-      write (unit = iunit, fmt = '(5(f10.4))') &
-           t%phase, t%amplitude%re, t%amplitude%im, FMS_Weight(t), real(t%stateID)
+      write (unit=iunit, fmt='(5(f10.4))') &
+         t%phase, t%amplitude%re, t%amplitude%im, FMS_Weight(t), real(t%stateID)
 
    end subroutine FMS_WriteFTrajDump
 !>
@@ -745,18 +745,18 @@ subroutine FMS_WriteFDipole(T, file_name, first_time)
          open (newunit=iunit, file=trim(long_file_name))
          ! Header
          ! "Time ... magnitudes ... components"
-         write (unit = iunit, fmt = '(a10)', advance = 'no') "#Time"
+         write (unit=iunit, fmt='(a10)', advance='no') '#Time'
          do k = 1, t%numStates
-            write (unit = iunit, fmt = '(a10)', advance = 'no') &
-                 FMS_NumberedFileName('Mag', k)
+            write (unit=iunit, fmt='(a10)', advance='no') &
+               FMS_NumberedFileName('Mag', k)
          end do
          do k = 1, t%numStates
-            write (unit = iunit, fmt = '(3(a10))', advance = 'no') &
-                 FMS_NumberedFileName('D', k)//'x',                &
-                 FMS_NumberedFileName('D', k)//'y',                &
-                 FMS_NumberedFileName('D', k)//'z'
+            write (unit=iunit, fmt='(3(a10))', advance='no') &
+               FMS_NumberedFileName('D', k)//'x', &
+               FMS_NumberedFileName('D', k)//'y', &
+               FMS_NumberedFileName('D', k)//'z'
          end do
-         write (unit = iunit, fmt = *) ! end of header line
+         write (unit=iunit, fmt=*) ! end of header line
       else
          open (newunit=iunit, file=trim(long_file_name), position='append')
       end if
@@ -766,14 +766,14 @@ subroutine FMS_WriteFDipole(T, file_name, first_time)
       ! intentional?
 
       do k = 1, t%numStates
-         write (unit = iunit, fmt = '(f11.6)', advance = 'no') &
-              sqrt(sum(FMS_Dipole(t, k)**2))
+         write (unit=iunit, fmt='(f11.6)', advance='no') &
+            sqrt(sum(FMS_Dipole(t, k)**2))
       end do
       do k = 1, t%numStates
-         write (unit = iunit, fmt = '(3(f11.6))', advance = 'no') &
-              FMS_Dipole(t, k)
+         write (unit=iunit, fmt='(3(f11.6))', advance='no') &
+            FMS_Dipole(t, k)
       end do
-      write (unit = iunit, fmt = *) ! end of data line
+      write (unit=iunit, fmt=*) ! end of data line
 
       close (IUnit)
 
@@ -929,36 +929,36 @@ subroutine FMS_WriteFTDipole(T)
          call FMS_OpenFile(FMS_NumberedFileName('TDip', T%TrajID), iunit, file_existed)
          if (.not. file_existed) then
             ! Header ...
-            write (unit = iunit, fmt = '(a10)', advance = 'no') "#Time"
+            write (unit=iunit, fmt='(a10)', advance='no') '#Time'
             do j = 2, t%numStates
-               write (unit = iunit, fmt = '(a10)', advance = 'no') &
-                    FMS_NumberedFileName('Mag', j)
+               write (unit=iunit, fmt='(a10)', advance='no') &
+                  FMS_NumberedFileName('Mag', j)
             end do
             do j = 2, t%numStates
-               write (unit = iunit, fmt = '(3(a10))', advance = 'no') &
-               FMS_NumberedFileName('TD', j)//'x',                    &
-               FMS_NumberedFileName('TD', j)//'y',                    &
-               FMS_NumberedFileName('TD', j)//'z'
+               write (unit=iunit, fmt='(3(a10))', advance='no') &
+                  FMS_NumberedFileName('TD', j)//'x', &
+                  FMS_NumberedFileName('TD', j)//'y', &
+                  FMS_NumberedFileName('TD', j)//'z'
             end do
-            write (unit = iunit, fmt = *) ! End of header line
+            write (unit=iunit, fmt=*) ! End of header line
          end if
          units(T%TrajID) = iunit
       end if
 
       ! 4. Write transition dipole
 
-      write (unit = iunit, fmt = '(f10.2)', advance = 'no') t%get_time()
+      write (unit=iunit, fmt='(f10.2)', advance='no') t%get_time()
       do j = 2, t%numStates
-         write (unit = iunit, fmt = '(1x,f9.5)', advance = 'no') &
-              sqrt(sum(FMS_TransDipole(t, j)**2))
+         write (unit=iunit, fmt='(1x,f9.5)', advance='no') &
+            sqrt(sum(FMS_TransDipole(t, j)**2))
       end do
       do j = 2, t%numStates
-         write (unit = iunit, fmt = '(3(1x,f9.5))', advance = 'no') &
-              FMS_TransDipole(t, j)
+         write (unit=iunit, fmt='(3(1x,f9.5))', advance='no') &
+            FMS_TransDipole(t, j)
       end do
-      write (unit = iunit, fmt = *) ! End of data line
+      write (unit=iunit, fmt=*) ! End of data line
 
-    end subroutine FMS_WriteFTDipole
+   end subroutine FMS_WriteFTDipole
 !>
 !!    Writes formatted potential energy data
 !!

From 4aa7e2e6de19afb7cfa36c9d0d1062054c40360d Mon Sep 17 00:00:00 2001
From: Daniel Hollas <daniel.hollas@bristol.ac.uk>
Date: Tue, 19 May 2026 13:40:26 +0100
Subject: [PATCH 03/15] CI: Update macos version

---
 .github/workflows/build.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.github/workflows/build.yml b/.github/workflows/build.yml
index b8e89d3..5352c26 100644
--- a/.github/workflows/build.yml
+++ b/.github/workflows/build.yml
@@ -20,7 +20,7 @@ jobs:
       fail-fast: false
       matrix:
          gcc_v: [latest]
-         os: [ubuntu-24.04, macos-15, macos-15-intel]
+         os: [ubuntu-24.04, macos-26, macos-26-intel]
          include:
           - os: ubuntu-22.04
             gcc_v: 9

From b9318e559b213bf4c5e8e704bab5f604c920913e Mon Sep 17 00:00:00 2001
From: Daniel Hollas <daniel.hollas@bristol.ac.uk>
Date: Tue, 19 May 2026 13:45:40 +0100
Subject: [PATCH 04/15] Specify latest gfortran version explicitly

---
 .github/workflows/build.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.github/workflows/build.yml b/.github/workflows/build.yml
index 5352c26..9a255d5 100644
--- a/.github/workflows/build.yml
+++ b/.github/workflows/build.yml
@@ -19,7 +19,7 @@ jobs:
     strategy:
       fail-fast: false
       matrix:
-         gcc_v: [latest]
+         gcc_v: [15]
          os: [ubuntu-24.04, macos-26, macos-26-intel]
          include:
           - os: ubuntu-22.04

From 740d66f071595d0c3fa28b5faa8465c8d46acd02 Mon Sep 17 00:00:00 2001
From: Daniel Hollas <daniel.hollas@bristol.ac.uk>
Date: Tue, 19 May 2026 15:25:27 +0100
Subject: [PATCH 05/15] Bump gcc in debug build

---
 .github/workflows/build.yml | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/.github/workflows/build.yml b/.github/workflows/build.yml
index 9a255d5..f1cf60d 100644
--- a/.github/workflows/build.yml
+++ b/.github/workflows/build.yml
@@ -77,7 +77,7 @@ jobs:
     strategy:
       fail-fast: false
       matrix:
-         gcc_v: [14]
+         gcc_v: [15]
          os: [ubuntu-24.04]
 
     steps:
@@ -134,7 +134,7 @@ jobs:
       run: make test
 
   cmake_build:
-    name: CMake ${{ matrix.toolchain.compiler }}-${{ matrix.toolchain.version }} zero
+    name: CMake ${{ matrix.toolchain.compiler }}-${{ matrix.toolchain.version }}
     runs-on: ubuntu-24.04
     strategy:
       fail-fast: false

From eba890ab78df8e9c7d74f8e6ce355705c86a45a6 Mon Sep 17 00:00:00 2001
From: Daniel Hollas <daniel.hollas@bristol.ac.uk>
Date: Tue, 19 May 2026 15:44:27 +0100
Subject: [PATCH 06/15] Add flang and nvfortran compilers

---
 .github/workflows/build.yml | 10 +++++-----
 1 file changed, 5 insertions(+), 5 deletions(-)

diff --git a/.github/workflows/build.yml b/.github/workflows/build.yml
index f1cf60d..8b9494b 100644
--- a/.github/workflows/build.yml
+++ b/.github/workflows/build.yml
@@ -100,17 +100,17 @@ jobs:
       run: make test
 
 
-  intel_build:
+  non_gfortran_build:
     name: ${{ matrix.toolchain.compiler }}-${{ matrix.toolchain.version }} build
-    runs-on: ubuntu-22.04
-    env:
-      FFLAGS: -O1 -g0
+    runs-on: ubuntu-24.04
     strategy:
       fail-fast: false
       matrix:
         toolchain:
           - {compiler: intel, version: latest}
-          - {compiler: intel-classic, version: '2021.10'}
+          - {compiler: nvidia-hpc, version: latest}
+          - {compiler: aocc, version: latest}
+          - {compiler: intel-classic, version: latest}
 
     steps:
     - uses: actions/checkout@v6

From e190db96b18fbd8f15a1691d4685e6b81d0dee73 Mon Sep 17 00:00:00 2001
From: Daniel Hollas <daniel.hollas@bristol.ac.uk>
Date: Tue, 19 May 2026 15:56:08 +0100
Subject: [PATCH 07/15] Don't add FFLAGS for non-gnu non-intel compilers

---
 configure.sh | 8 +++++---
 1 file changed, 5 insertions(+), 3 deletions(-)

diff --git a/configure.sh b/configure.sh
index fe7db41..6b69d08 100755
--- a/configure.sh
+++ b/configure.sh
@@ -40,17 +40,19 @@ if [[ -z $FC ]]; then
 fi
 
 # This is a very crude heuristic
-comp=$(basename $FC)
+comp=$(basename "$FC")
 if [[ "$comp" = ifx || "$comp" = ifort || "$comp" = mpiifort ]]; then
     FCTYPE=intel
-else
+elif [[ "$comp" = gfortran ]]; then
     FCTYPE=gnu
+else
+    FCTYPE=unknown
 fi
 
 # Set default FFLAGS
 if [[ $FCTYPE = intel ]]; then
     DEFAULT_FFLAGS="-i4 -check bounds,nouninit,noarg_temp_created -g -traceback -O0 -heap-arrays"
-else
+elif [[ $FCTYPE = gnu ]]; then
     warning_flags="-Wall -Wno-unused-dummy-argument -Wno-integer-division -Wno-unused-function -Wno-maybe-uninitialized"
     # TODO: We should probably trap also "invalid" floating-point exception,
     # but need to fix some tests first that currently trigger them :-(

From 4426d375f2d15055b619099a35809705ea69f864 Mon Sep 17 00:00:00 2001
From: Daniel Hollas <daniel.hollas@bristol.ac.uk>
Date: Tue, 19 May 2026 16:01:48 +0100
Subject: [PATCH 08/15] Go back to 2022.10

---
 .github/workflows/build.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.github/workflows/build.yml b/.github/workflows/build.yml
index 8b9494b..e2b9809 100644
--- a/.github/workflows/build.yml
+++ b/.github/workflows/build.yml
@@ -110,7 +110,7 @@ jobs:
           - {compiler: intel, version: latest}
           - {compiler: nvidia-hpc, version: latest}
           - {compiler: aocc, version: latest}
-          - {compiler: intel-classic, version: latest}
+          - {compiler: intel-classic, version: '2022.10'}
 
     steps:
     - uses: actions/checkout@v6

From cb40c34ba41954e104b6382795326cf0c782b9fc Mon Sep 17 00:00:00 2001
From: Daniel Hollas <daniel.hollas@bristol.ac.uk>
Date: Tue, 19 May 2026 16:07:11 +0100
Subject: [PATCH 09/15] Fix nvfortran compilation

---
 src/modules/Makefile | 6 +++++-
 1 file changed, 5 insertions(+), 1 deletion(-)

diff --git a/src/modules/Makefile b/src/modules/Makefile
index 93d50c8..502f942 100644
--- a/src/modules/Makefile
+++ b/src/modules/Makefile
@@ -51,7 +51,11 @@ endif
 # Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 120 at (1)
 EispackModule.o: EispackModule.f
 	@echo "Compiling $<"
-	@$(FC) $(FFLAGS) $(INCFLAGS) -std=legacy -Wno-maybe-uninitialized -c $<
+ifeq ($(FC),gfortran)
+	@$(FC) $(FFLAGS) $(INCFLAGS) -std=legacy -c $<
+else
+	@$(FC) $(FFLAGS) $(INCFLAGS) -c $<
+endif
 
 RandomModule.o: RandomModule.f90 GlobalModule.o
 

From 7f2beb81d17a95f2b25af35aa38bd41141625dcd Mon Sep 17 00:00:00 2001
From: Daniel Hollas <daniel.hollas@bristol.ac.uk>
Date: Tue, 19 May 2026 16:16:52 +0100
Subject: [PATCH 10/15] Try 2022.11

---
 .github/workflows/build.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.github/workflows/build.yml b/.github/workflows/build.yml
index e2b9809..751cdc4 100644
--- a/.github/workflows/build.yml
+++ b/.github/workflows/build.yml
@@ -110,7 +110,7 @@ jobs:
           - {compiler: intel, version: latest}
           - {compiler: nvidia-hpc, version: latest}
           - {compiler: aocc, version: latest}
-          - {compiler: intel-classic, version: '2022.10'}
+          - {compiler: intel-classic, version: '2022.11'}
 
     steps:
     - uses: actions/checkout@v6

From 948fe5749f20c09b8c113977c343faba209e22a6 Mon Sep 17 00:00:00 2001
From: Daniel Hollas <daniel.hollas@bristol.ac.uk>
Date: Tue, 19 May 2026 16:31:53 +0100
Subject: [PATCH 11/15] Run intel-classic on ubuntu-22.04

---
 .github/workflows/build.yml | 11 ++++++-----
 1 file changed, 6 insertions(+), 5 deletions(-)

diff --git a/.github/workflows/build.yml b/.github/workflows/build.yml
index 751cdc4..3eb3b62 100644
--- a/.github/workflows/build.yml
+++ b/.github/workflows/build.yml
@@ -43,8 +43,6 @@ jobs:
 
     - name: Configure
       run: ./configure.sh
-      env:
-        FC: gfortran${{ matrix.os == 'macos-15-intel' && '-14' || '' }}
 
     - name: Build
       run: make -j
@@ -100,17 +98,20 @@ jobs:
       run: make test
 
 
-  non_gfortran_build:
+  non_gcc_build:
     name: ${{ matrix.toolchain.compiler }}-${{ matrix.toolchain.version }} build
-    runs-on: ubuntu-24.04
+    runs-on: ${{ matrix.os }}
     strategy:
       fail-fast: false
       matrix:
+        os: [ubuntu-24.04]
         toolchain:
           - {compiler: intel, version: latest}
           - {compiler: nvidia-hpc, version: latest}
           - {compiler: aocc, version: latest}
-          - {compiler: intel-classic, version: '2022.11'}
+        include:
+          - os: ubuntu-22.04
+            toolchain: {compiler: intel-classic, version: latest}
 
     steps:
     - uses: actions/checkout@v6

From 38bec70ebab8156cca7ac9939bdcc98991d3b152 Mon Sep 17 00:00:00 2001
From: Daniel Hollas <daniel.hollas@bristol.ac.uk>
Date: Tue, 19 May 2026 16:35:51 +0100
Subject: [PATCH 12/15] WTH

---
 .github/workflows/build.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.github/workflows/build.yml b/.github/workflows/build.yml
index 3eb3b62..c9a8835 100644
--- a/.github/workflows/build.yml
+++ b/.github/workflows/build.yml
@@ -111,7 +111,7 @@ jobs:
           - {compiler: aocc, version: latest}
         include:
           - os: ubuntu-22.04
-            toolchain: {compiler: intel-classic, version: latest}
+            toolchain: {compiler: intel-classic, version: '2022.10'}
 
     steps:
     - uses: actions/checkout@v6

From 87c1953a15d14f1a2498a5ce820b0991f7b198a2 Mon Sep 17 00:00:00 2001
From: Daniel Hollas <daniel.hollas@bristol.ac.uk>
Date: Tue, 19 May 2026 16:45:05 +0100
Subject: [PATCH 13/15] Unify intel and gcc builds

---
 .github/workflows/build.yml | 67 +++++++++++--------------------------
 1 file changed, 20 insertions(+), 47 deletions(-)

diff --git a/.github/workflows/build.yml b/.github/workflows/build.yml
index c9a8835..c50931f 100644
--- a/.github/workflows/build.yml
+++ b/.github/workflows/build.yml
@@ -10,20 +10,25 @@ env:
 
 jobs:
 
-  gcc_build:
-    name: GCC-${{ matrix.gcc_v}} (${{ matrix.os }})
+  build:
+    name: ${{ matrix.toolchain.compiler }}-${{ matrix.toolchain.version }} (${{ matrix.os }})
     runs-on: ${{ matrix.os }}
-    env:
-      FFLAGS: --coverage -fprofile-abs-path
-      LDFLAGS: --coverage
     strategy:
       fail-fast: false
       matrix:
-         gcc_v: [15]
-         os: [ubuntu-24.04, macos-26, macos-26-intel]
-         include:
+        os: [ubuntu-24.04]
+        toolchain:
+          - {compiler: gcc, version: '15'}
+          - {compiler: intel, version: latest}
+          - {compiler: nvidia-hpc, version: latest}
+          - {compiler: aocc, version: latest}
+        include:
+          - os: ubuntu-22.04
+            toolchain: {compiler: intel-classic, version: '2022.10'}
+          - os: macos-26
+            toolchain: {compiler: gcc, version: '15'}
           - os: ubuntu-22.04
-            gcc_v: 9
+            toolchain: {compiler: gcc, version: '9'}
 
     steps:
     - uses: actions/checkout@v6
@@ -33,8 +38,8 @@ jobs:
     - uses: fortran-lang/setup-fortran@v1
       id: setup-fortran
       with:
-        compiler: gcc
-        version: ${{ matrix.gcc_v }}
+        compiler: ${{ matrix.toolchain.compiler }}
+        version: ${{ matrix.toolchain.version }}
 
       # Python is needed for tests
     - uses: actions/setup-python@v6
@@ -43,6 +48,10 @@ jobs:
 
     - name: Configure
       run: ./configure.sh
+      env:
+        # Only collect test coverage for with gfortran
+        FFLAGS: ${{ matrix.toolchain.compiler == 'gcc' && '--coverage -fprofile-abs-path' || '' }}
+        LDFLAGS: ${{ matrix.toolchain.compiler == 'gcc' && '--coverage' || '' }}
 
     - name: Build
       run: make -j
@@ -98,42 +107,6 @@ jobs:
       run: make test
 
 
-  non_gcc_build:
-    name: ${{ matrix.toolchain.compiler }}-${{ matrix.toolchain.version }} build
-    runs-on: ${{ matrix.os }}
-    strategy:
-      fail-fast: false
-      matrix:
-        os: [ubuntu-24.04]
-        toolchain:
-          - {compiler: intel, version: latest}
-          - {compiler: nvidia-hpc, version: latest}
-          - {compiler: aocc, version: latest}
-        include:
-          - os: ubuntu-22.04
-            toolchain: {compiler: intel-classic, version: '2022.10'}
-
-    steps:
-    - uses: actions/checkout@v6
-
-    - uses: fortran-lang/setup-fortran@v1
-      id: setup-fortran
-      with:
-        compiler: ${{ matrix.toolchain.compiler }}
-        version: ${{ matrix.toolchain.version }}
-
-    - name: Configure
-      run: ./configure.sh
-
-    - name: Build
-      run: make -j
-
-    - name: Unit tests
-      run: make unittest
-
-    - name: End-to-end tests
-      run: make test
-
   cmake_build:
     name: CMake ${{ matrix.toolchain.compiler }}-${{ matrix.toolchain.version }}
     runs-on: ubuntu-24.04

From 5d47310c0d831fa20a9dfe452a87273fcb9e300c Mon Sep 17 00:00:00 2001
From: Daniel Hollas <daniel.hollas@bristol.ac.uk>
Date: Tue, 19 May 2026 16:46:11 +0100
Subject: [PATCH 14/15] Fix intel-classic version

---
 .github/workflows/build.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.github/workflows/build.yml b/.github/workflows/build.yml
index c50931f..40c238a 100644
--- a/.github/workflows/build.yml
+++ b/.github/workflows/build.yml
@@ -24,7 +24,7 @@ jobs:
           - {compiler: aocc, version: latest}
         include:
           - os: ubuntu-22.04
-            toolchain: {compiler: intel-classic, version: '2022.10'}
+            toolchain: {compiler: intel-classic, version: '2021.10'}
           - os: macos-26
             toolchain: {compiler: gcc, version: '15'}
           - os: ubuntu-22.04

From faace70aa1d2aeb7a1e77c835c836eaffa5b3b97 Mon Sep 17 00:00:00 2001
From: Daniel Hollas <daniel.hollas@bristol.ac.uk>
Date: Tue, 19 May 2026 16:51:19 +0100
Subject: [PATCH 15/15] Fix

---
 .github/workflows/build.yml | 9 ++++-----
 1 file changed, 4 insertions(+), 5 deletions(-)

diff --git a/.github/workflows/build.yml b/.github/workflows/build.yml
index 40c238a..c05ed24 100644
--- a/.github/workflows/build.yml
+++ b/.github/workflows/build.yml
@@ -13,6 +13,10 @@ jobs:
   build:
     name: ${{ matrix.toolchain.compiler }}-${{ matrix.toolchain.version }} (${{ matrix.os }})
     runs-on: ${{ matrix.os }}
+    env:
+      # Only collect test coverage with gfortran
+      FFLAGS: ${{ matrix.toolchain.compiler == 'gcc' && '--coverage -fprofile-abs-path' || '' }}
+      LDFLAGS: ${{ matrix.toolchain.compiler == 'gcc' && '--coverage' || '' }}
     strategy:
       fail-fast: false
       matrix:
@@ -48,11 +52,6 @@ jobs:
 
     - name: Configure
       run: ./configure.sh
-      env:
-        # Only collect test coverage for with gfortran
-        FFLAGS: ${{ matrix.toolchain.compiler == 'gcc' && '--coverage -fprofile-abs-path' || '' }}
-        LDFLAGS: ${{ matrix.toolchain.compiler == 'gcc' && '--coverage' || '' }}
-
     - name: Build
       run: make -j