Merge branch 'master' into arpack-ng

MPI/MITHRA/build

@@ -26,6 +26,9 @@ pbuild::configure() {
 	:
 }
 
+pbuild::install() {
+	make -e PREFIX="${PREFIX}" install
+}
 # Local Variables:
 # mode: sh
 # sh-basic-offset: 8

MPI/MITHRA/files/variants.rhel6

@@ -2,3 +2,4 @@ MITHRA/2020.8.27	deprecated	gcc/8.4.0 openmpi/3.1.6
 MITHRA/2.0		stable		gcc/8.4.0 openmpi/3.1.6
 MITHRA/2.0		stable		gcc/10.3.0 openmpi/4.0.5
 MITHRA/2.0		stable		gcc/10.4.0 openmpi/4.1.4
+MITHRA/2.0		unstable	gcc/10.4.0 openmpi/4.1.5

MPI/MITHRA/files/variants.slurm

@@ -2,3 +2,4 @@ MITHRA/2020.8.27_slurm	deprecated	gcc/8.4.0 openmpi/3.1.6_slurm
 MITHRA/2.0_slurm	stable		gcc/8.4.0 openmpi/3.1.6_slurm
 MITHRA/2.0_slurm	stable		gcc/10.3.0 openmpi/4.0.5-1_slurm
 MITHRA/2.0_slurm	stable		gcc/10.4.0 openmpi/4.1.4_slurm
+MITHRA/2.0_slurm	unstable	gcc/{9.5.0,10.4.0,11.4.0,12.3.0,13.1.0} openmpi/4.1.5_slurm

MPI/amrex/build

@@ -10,7 +10,7 @@ pbuild::install_docfiles 'license.txt'
 pbuild::install_docfiles 'README.txt'
 
 pbuild::pre_prep() {
-	echo "OPENMPI_VERSION=${OPENMPI_VEERSION}" 1>&2
+	echo "OPENMPI_VERSION=${OPENMPI_VERSION}" 1>&2
 	if pbuild::version_gt "${OPENMPI_VERSION}" '4.0.0'; then
 		pbuild::add_patch "files/AMReX_ParallelDescriptor.patch"
 	fi

MPI/amrex/files/variants.merlin6

@@ -1,4 +1,5 @@
 amrex/18.07_3d_slurm	stable	gcc/{7.5.0,8.4.0,9.3.0} openmpi/3.1.6_slurm b:cmake/3.15.5
 amrex/18.07_3d_slurm	stable	gcc/10.3.0 openmpi/4.0.5-1_slurm b:cmake/3.20.5
 amrex/18.07_3d_slurm	stable	gcc/10.4.0 openmpi/4.1.4_slurm b:cmake/3.20.5
+amrex/18.07.1_3d_slurm	unstable	gcc/{10.4.0,11.4.0,12.3.0,13.1.0} openmpi/4.1.5_slurm b:cmake/3.20.5
 

MPI/amrex/files/variants.rhel6

@@ -17,4 +17,5 @@ amrex/18.07_3d	stable		gcc/{7.3.0,8.2.0} mpich/3.2.1 b:cmake/3.9.6
 amrex/18.07_3d	stable		gcc/{7.5.0,8.4.0,9.3.0} openmpi/3.1.6 b:cmake/3.15.5
 amrex/18.07_3d	stable		gcc/{7.5.0,8.4.0,9.3.0,10.3.0} openmpi/4.0.5 b:cmake/3.15.5
 amrex/18.07_3d	stable		gcc/10.4.0 openmpi/4.1.4 b:cmake/3.15.5
+amrex/18.07.1_3d	unstable		gcc/10.4.0 openmpi/4.1.5 b:cmake/3.15.5
 

MPI/boost/files/variants.merlin6

@@ -9,3 +9,6 @@ boost/1.76.0_slurm      stable          gcc/{10.2.0,10.3.0} openmpi/4.0.5-1_slur
 boost/1.79.0_slurm	stable		gcc/{9.3.0,10.3.0} openmpi/4.1.3_slurm b:zlib/1.2.11
 boost/1.79.0_slurm	stable		gcc/10.4.0 openmpi/4.1.4_slurm b:zlib/1.2.13
 boost/1.79.0_slurm	unstable 	intel/22.1 impi/22.1 b:zlib/1.2.11
+
+boost/1.81.0_slurm	unstable	gcc/{9.5.0,10.4.0,11.4.0,12.3.0,13.1.0} openmpi/4.1.5_slurm b:zlib/1.2.13
+boost/1.82.0_slurm	unstable	gcc/{9.5.0,10.4.0,11.4.0,12.3.0,13.1.0} openmpi/4.1.5_slurm b:zlib/1.2.13

MPI/boost/files/variants.rhel6

@@ -14,3 +14,4 @@ boost/1.73.0	stable		gcc/{7.5.0,8.4.0,9.3.0,10.1.0} openmpi/3.1.6 b:zlib/1.2.11
 
 boost/1.76.0	stable		gcc/{7.5.0,8.4.0,9.3.0,10.3.0} openmpi/4.0.5 b:zlib/1.2.11
 boost/1.79.0	stable			gcc/10.4.0 openmpi/4.1.4 b:zlib/1.2.13
+boost/1.82.0	unstable		gcc/10.4.0 openmpi/4.1.5 b:zlib/1.2.13

MPI/fftw/files/variants.merlin6

@@ -7,4 +7,4 @@ fftw/3.3.9_merlin6	unstable	gcc/{8.4.0,9.3.0,10.2.0,10.3.0,11.2.0} openmpi/4.0.5
 fftw/3.3.10		unstable	gcc/{7.5.0,8.4.0,9.3.0,10.3.0} openmpi/4.0.5
 fftw/3.3.10_merlin6	unstable	gcc/{8.4.0,9.3.0,10.2.0,10.3.0,11.2.0} openmpi/4.0.5-1_slurm
 
-fftw/3.3.10_merlin6	unstable	gcc/10.4.0 openmpi/4.1.5_slurm
+fftw/3.3.10_merlin6	unstable	gcc/{10.4.0,11.4.0,12.3.0,13.1.0} openmpi/4.1.5_slurm

MPI/hdf5/build

@@ -45,6 +45,11 @@ pbuild::pre_configure() {
 			pbuild::add_configure_args "CXXFLAGS=-fPIC"
 			pbuild::add_configure_args "FCFLAGS=-fPIC"
 			;;
+		nvhpc )
+			pbuild::add_configure_args "CFLAGS=-fPIC"
+			pbuild::add_configure_args "CXXFLAGS=-fPIC"
+			pbuild::add_configure_args "FCFLAGS=-fPIC"
+			;;
 	esac
 
 	if [[ "${enable_fortran}" == 'yes' ]]; then

MPI/hdf5/build-yaml

@@ -0,0 +1,56 @@
+#!/usr/bin/env modbuild
+
+pbuild::install_docfiles ACKNOWLEDGMENTS
+pbuild::install_docfiles COPYING
+pbuild::install_docfiles MANIFEST
+pbuild::install_docfiles README*
+
+pbuild::pre_configure() {
+	pbuild::add_configure_args "CC=${MPICC}"
+	pbuild::add_configure_args "CXX=${MPICXX}"
+
+	pbuild::add_configure_args "--enable-shared"
+	pbuild::add_configure_args "--enable-parallel"
+	pbuild::add_configure_args "--enable-cxx"
+	pbuild::add_configure_args "--enable-unsupported"
+	#pbuild::add_configure_args "--enable-threadsafe"
+	pbuild::add_configure_args "--with-pic"
+
+	local enable_fortran='yes'
+
+	case "${COMPILER}" in
+		clang-macos )
+			enable_fortran='no'
+			# we do not have Fortran in Xcode
+			;;
+		pgi )
+			# PGI uses GCC's include files, some object files and
+			# the STL implementation!
+			# The PGI C pre-processor is broken and doesn't work 
+			# for HDF5. We use the pre-processor of the underlying
+			# GCC...
+			# This is a bit hackish!
+			#
+			# The following eval sets GCCDIR! Which is something 
+			# like:
+			# /opt/psi/Programming/gcc/7.3.0/bin/../lib/gcc/x86_64-pc-linux-gnu/7.3.0
+			#
+			eval $(pgcc -show 2>/dev/null | \
+				awk '/^GCCDIR[[:space:]]*=/{gsub(/[[:space:]]/,""); print $0}')
+			pbuild::add_configure_args "CPP=${GCCDIR%%/..*}/cpp"
+			pbuild::add_configure_args "CFLAGS=-fPIC"
+			pbuild::add_configure_args "CXXFLAGS=-fPIC"
+			pbuild::add_configure_args "FCFLAGS=-fPIC"
+			;;
+	esac
+
+	if [[ "${enable_fortran}" == 'yes' ]]; then
+		pbuild::add_configure_args "F77=${MPIF77}"
+		pbuild::add_configure_args "F90=${MPIF90}"
+		pbuild::add_configure_args "FC=${MPIFC}"
+		pbuild::add_configure_args "FORTRAN=${MPIFORTRAN}"
+		pbuild::add_configure_args "--enable-fortran"
+	fi
+
+}
+

MPI/hdf5/files/config.yaml

@@ -0,0 +1,287 @@
+---
+# yamllint disable rule:line-length
+format: 1
+hdf5:
+  defaults:
+    group: MPI
+    overlay: base
+    relstage: stable
+    systems: [rhel7, rhel8, rhel9]
+    urls:
+      - url: https://support.hdfgroup.org/ftp/HDF5/releases/$P-${V_MAJOR}.${V_MINOR}/$P-${V_PKG}/src/$P-${V_PKG}.tar.bz2
+  shasums:
+    hdf5-1.8.10-patch1.tar.bz2: 292afb3615ad9e68f4d5d18ebb11e4a73f2aece39f2da3875a457ff1e109fc41
+    hdf5-1.8.12.tar.bz2: 10a369a4fc207bb09245f57c758e587420e06dfc0e445e337a58b0848b75a949
+    hdf5-1.8.13.tar.bz2: c2f5a412107aba6f99fd7a4a9db6ce5f5fc8171ec931472784e5839d26aa17ef
+    hdf5-1.8.14.tar.bz2: 53722cb9f5977af2908f92fc1a3f8c597800a5cb448cfe5c75060d6335bb9bab
+    hdf5-1.8.15-patch1.tar.bz2: a5afc630c4443547fff15e9637b5b10404adbed4c00206d89517d32d6668fb32
+    hdf5-1.8.15.1.tar.bz2: 289307fd70cef6715e0a28371635c8038153a4f25069319e34b0bc675a23e8ed
+    hdf5-1.8.16.tar.bz2: 13aaae5ba10b70749ee1718816a4b4bfead897c2fcb72c24176e759aec4598c6
+    hdf5-1.8.17.tar.bz2: fc35dd8fd8d398de6b525b27cc111c21fc79795ad6db1b1f12cb15ed1ee8486a
+    hdf5-1.8.18.tar.bz2: 01c6deadf4211f86922400da82c7a8b5b50dc8fc1ce0b5912de3066af316a48c
+    hdf5-1.8.19.tar.bz2: 59c03816105d57990329537ad1049ba22c2b8afe1890085f0c022b75f1727238
+    hdf5-1.8.20.tar.bz2: a4f2db7e0a078aa324f64e0216a80731731f73025367fa94d158c9b1d3fbdf6f
+    hdf5-1.8.21.tar.bz2: e5b1b1dee44a64b795a91c3321ab7196d9e0871fe50d42969761794e3899f40d
+    hdf5-1.10.0.tar.bz2: 31ff70dc7c7317066ab3bda3eec4498a8b099c69c1271b008ed3df388e743d28
+    hdf5-1.10.1.tar.bz2: 9c5ce1e33d2463fb1a42dd04daacbc22104e57676e2204e3d66b1ef54b88ebf2
+    hdf5-1.10.2.tar.bz2: 1cad5b7bfdf128dfc53cd16fba48f6e7ae4e93c75c371d9ec8dfc4df0c1fcb71
+    hdf5-1.10.3.tar.bz2: c65cdcce4724a57fd3f8da9f0d109b497be30092acb9fac634d1291190d905a9
+    hdf5-1.10.4.tar.bz2: 1267ff06aaedc04ca25f7c6026687ea2884b837043431195f153401d942b28df
+    hdf5-1.10.5.tar.bz2: 68d6ea8843d2a106ec6a7828564c1689c7a85714a35d8efafa2fee20ca366f44
+    hdf5-1.10.6.tar.bz2: 09d6301901685201bb272a73e21c98f2bf7e044765107200b01089104a47c3bd
+    hdf5-1.10.6_slurm.tar.bz2: d5a89e26beae0bc03ad18a0b0d1d3d75f87c32047879d25da11970cb5c4662a3
+    hdf5-1.10.7.tar.bz2: 02018fac7e5efc496d9539a303cfb41924a5dadffab05df9812096e273efa55e
+    hdf5-1.10.8.tar.bz2: 66ec544b195a4cb9f6ffed034fd82e52429d6112747c2996ab69853f606e546b
+    hdf5-1.10.11.tar.bz2: 0afc77da5c46217709475bbefbca91c0cb6f1ea628ccd8c36196cf6c5a4de304
+    hdf5-1.12.0.tar.bz2: 97906268640a6e9ce0cde703d5a71c9ac3092eded729591279bf2e3ca9765f61
+    hdf5-1.12.2.tar.bz2: 3016ea56a175d2ca7f2568c8016420f7a2aad8f95e214fe7fa5485f4b80fbe51
+    hdf5-1.13.1.tar.bz2: e16973ec893e2d5aa9c8dc73e196db9b99a605578e7317b421c713936f8bf57d
+
+  versions:
+    1.8.12:
+      config:
+        relstage: deprecated
+      variants:
+        - group_deps:
+            compiler: {gcc: [4.7.4, 4.8.3, 4.8.4, 4.9.2]}
+            mpi: {openmpi: [1.6.5, 1.8.2, 1.8.4]}
+        - group_deps:
+            compiler: {gcc: [4.8.2]}
+            mpi: {openmpi: [1.6.5]}
+        - group_deps:
+            compiler: {gcc: [4.7.4, 4.8.4, gcc/4.9.2, 5.1.0], intel: [15.2]}
+            mpit: {mpich: [3.1.4]}
+        - group_deps:
+            compiler: {gcc: [4.8.5]}
+            mpi: {openmpi: [1.8.8]}
+        - group_deps:
+            compiler: {gcc: [5.1.0], intel: [15.2]}
+            mpi: {openmpi: [1.6.5]}
+        - group_deps:
+            compiler: {gcc: [5.1.0], intel: [15.2, 15.3]}
+            mpi: {openmpi: [1.8.4]}
+    1.8.13:
+      config:
+        relstage: deprecated
+      variants:
+        - group_deps:
+              compiler: {gcc: [4.7.4, 4.8.3, 4.8.4]}
+              mpi: {openmpi: [1.6.5, 1.8.2, 1.8.4]}
+    1.8.14:
+      config:
+        relstage: deprecated
+      variants:
+        - group_deps:
+            compiler: {gcc: [4.7.4, 4.8.3, 4.8.4, 4.9.2]}
+            mpi: {openmpi: [1.6.5, 1.8.2, 1.8.4]}
+        - group_deps:
+            compiler: {gcc: [4.7.4, 4.8.4, 4.9.2, 5.1.0], intel: [15.2]}
+            mpi: {mpich: [3.1.4]}
+        - group_deps:
+            compiler: {gcc: [5.1.0], intel: [15.2]}
+            mpi: {openmpi: [1.6.5]}
+        - group_deps:
+            compiler: {gcc: [5.1.0], intel: [15.2, 15.3]}
+            mpi: {openmpi: [1.8.4]}
+
+    1.8.15-patch1:
+      config:
+        relstage: deprecated
+      variants:
+        - group_deps:
+            compiler: {gcc: [4.7.4, 4.8.4, 4.9.2, 5.1.0]}
+            mpi: {mpich: [3.1.4], openmpi: [1.6.5, 1.8.4]}
+        - group_deps:
+            compiler: {gcc: [4.8.5, 4.9.3, 5.2.0]}
+            mpi: {openmpi: [1.10.0]}
+        - group_deps:
+            compiler: {intel: [15.3]}
+            mpi: {openmpi: [1.6.5]}
+
+    1.8.15.1:
+      config:
+        relstage: deprecated
+      variants:
+        - group_deps:
+            compiler: {gcc: [4.9.3, 5.2.0]}
+            mpi: {openmpi: [1.8.8]}
+
+    1.8.16:
+      config:
+        relstage: deprecated
+      variants:
+        - group_deps:
+            compiler: {gcc: [4.8.5, 4.9.3]}
+            mpi: {openmpi: [1.8.8]}
+        - group_deps:
+            compiler: {gcc: [4.9.2]}
+            mpi: {openmpi: [1.8.4]}
+        - group_deps:
+            compiler: {gcc: [4.8.5, 5.3.0, 6.1.0]}
+            mpi: {openmpi: [1.10.2]}
+
+    1.8.17:
+      config:
+        relstage: deprecated
+      variants:
+        - group_deps:
+            compiler: {gcc: [4.8.5, 4.9.3]}
+            mpi: {openmpi: [1.8.8]}
+        - group_deps:
+            compiler: {gcc: [4.8.5, 5.3.0, 6.1.0, 6.2.0]}
+            mpi: {openmpi: [1.10.2]}
+        - group_deps:
+            compiler: {gcc: [4.8.5, 4.9.4, 5.4.0, 6.2.0]}
+            mpi: {openmpi: [1.10.4]}
+
+    1.8.18:
+      config:
+        relstage: deprecated
+      variants:
+        - group_deps:
+            compiler: {gcc: [4.8.5, 4.9.4, 5.4.0, 6.2.0]}
+            mpi: {openmpi: [1.10.4]}
+
+    1.8.20:
+      config:
+        relstage: deprecated
+      variants:
+        - group_deps:
+            compiler: {gcc: [4.8.5]}
+            mpi: {openmpi: [1.10.4]}
+
+        - group_deps:
+            compiler: {gcc: [7.3.0]}
+            mpi: {openmpi: [1.10.7, 2.1.5, 3.1.3], mpich: [3.2.1]}
+
+        - group_deps:
+            compiler: {intel: [18.4]}
+            mpi: {impi: [18.4]}
+
+    1.10.0:
+      config:
+        relstage: deprecated
+      variants:
+        - group_deps:
+            compiler: {gcc: [4.8.5, 5.3.0, 6.1.0]}
+            mpi: {openmpi: [1.10.2]}
+
+    1.10.1:
+      config:
+        relstage: deprecated
+      variants:
+        - group_deps:
+            compiler: {gcc: [7.3.0]}
+            mpi: {openmpi: [1.10.7, 2.1.2, 3.0.0, 3.0.1]}
+        - group_deps:
+            compiler: {intel: [17.4]}
+            mpi: {openmpi: [1.10.7, 2.1.2, 3.0.0]}
+        - group_deps:
+            compiler: {pgi: [18.5]}
+            mpi: {pgi-mpi: [18.5]}
+
+    1.10.2:
+      config:
+        relstage: deprecated
+      variants:
+        - group_deps:
+            compiler: {gcc: [7.3.0]}
+            mpi: {openmpi: [3.0.1]}
+
+    1.10.3:
+      config:
+        relstage: deprecated
+      variants:
+        - group_deps:
+            compiler: {gcc: [7.3.0]}
+            mpi: {openmpi: [3.1.2]}
+        - group_deps:
+            compiler: {intel: [17.4]}
+            mpi: {intel-mpi: [17.4]}
+
+    1.10.4:
+      config:
+        relstage: deprecated
+      variants:
+        - group_deps:
+            compiler: {gcc: [5.5.0, 7.3.0, 8.2.0]}
+            mpi: {openmpi: [3.1.3]}
+        - group_deps:
+            compiler: {gcc: [7.3.0]}
+            mpi: {mpich: [3.3]}
+
+    1.10.5:
+      config:
+        relstage: deprecated
+      variants:
+        - group_deps:
+            compiler: {gcc: [7.4.0, 8.3.0]}
+            mpi: {openmpi: [3.1.4]}
+
+    1.10.6:
+      variants:
+        - group_deps:
+            compiler: {gcc: [7.5.0, 8.4.0, 9.3.0, 10.1.0]}
+            mpi: {openmpi: [3.1.6]}
+
+    1.10.6_slurm:
+      variants:
+        - group_deps:
+            compiler: {gcc: [7.5.0, 8.4.0, 9.3.0]}
+            mpi: {openmpi: [3.1.6_slurm]}
+
+    1.10.7:
+      variants:
+        - group_deps:
+            compiler: {gcc: [7.5.0, 8.4.0, 9.3.0, 10.2.0, 10.3.0]}
+            mpi: {openmpi: [4.0.5]}
+
+    1.10.7_slurm:
+      variants:
+        - group_deps:
+            compiler: {gcc: [10.3.0]}
+            mpi: {openmpi: [4.0.5-1_slurm]}
+
+    1.10.8:
+      variants:
+        - group_deps:
+            compiler: {gcc: [10.4.0]}
+            mpi: {openmpi: [4.1.4]}
+        - relstage: unstable
+          group_deps:
+            compiler: {gcc: [10.4.0]}
+            mpi: {openmpi: [4.1.5]}
+
+    1.10.8_slurm:
+      variants:
+        - group_deps:
+            compiler: {gcc: [10.4.0]}
+            mpi: {openmpi: [4.1.4_slurm]}
+        - relstage: unstable
+          group_deps:
+            compiler: {gcc: [9.5.0, 10.4.0, 11.4.0, 12.3.0, 13.1.0]}
+            mpi: {openmpi: [4.1.5_slurm]}
+
+    1.10.11:
+      variants:
+        - relstage: unstable
+          group_deps:
+            compiler: {gcc: [12.3.0]}
+            mpi: {openmpi: [4.1.5]}
+
+    1.12.0:
+      variants:
+        - group_deps:
+            compiler: {gcc: [7.5.0, 8.4.0, 9.3.0, 10.2.0]}
+            mpi: {openmpi: [4.0.5]}
+        - relstage: unstable
+          group_deps:
+            compiler: {pgi: [21.5]}
+            mpi: {pgi-mpi: [21.5]}
+
+    1.13.1_slurm:
+      variants:
+        - relstage: unstable
+          group_deps:
+            compiler: {gcc: [11.2.0]}
+            mpi: {openmpi: [4.1.3_slurm]}

MPI/hdf5/files/variants.merlin6

@@ -1,4 +1,5 @@
 hdf5/1.10.6_slurm     stable	gcc/{7.5.0,8.4.0,9.3.0} openmpi/3.1.6_slurm
 hdf5/1.10.7_slurm     stable	gcc/10.3.0 openmpi/4.0.5-1_slurm
 hdf5/1.10.8_slurm     stable	gcc/10.4.0 openmpi/4.1.4_slurm
+hdf5/1.10.8_slurm     unstable	gcc/{9.5.0,10.4.0,11.4.0,12.3.0,13.1.0} openmpi/4.1.5_slurm
 hdf5/1.13.1_slurm     unstable	gcc/11.2.0 openmpi/4.1.3_slurm

MPI/hdf5/files/variants.rhel6

@@ -60,5 +60,6 @@ hdf5/1.10.7		stable		gcc/{7.5.0,8.4.0,9.3.0,10.2.0} openmpi/4.0.5
 hdf5/1.10.7		stable		gcc/10.3.0 openmpi/4.0.5
 
 hdf5/1.10.8		stable		gcc/10.4.0 openmpi/4.1.4
+hdf5/1.10.8		unstable		gcc/10.4.0 openmpi/4.1.5
 
 hdf5/1.12.0		stable		gcc/{7.5.0,8.4.0,9.3.0,10.2.0} openmpi/4.0.5

MPI/parmetis/build

@@ -1,21 +1,5 @@
 #!/usr/bin/env modbuild
 
-pbuild::set_download_url "http://glaros.dtc.umn.edu/gkhome/fetch/sw/$P/$P-${V_PKG}.tar.gz"
-
-pbuild::add_to_group 'MPI'
-
-case ${V_MAJOR} in
-3 )
-	pbuild::install_docfiles CHANGES INSTALL LICENSE.txt README VERSION
-	;;
-4 )
-	pbuild::install_docfiles Changelog Install.txt LICENSE.txt
-	;;
-* )
-	std::die 4 "Unsupported major version!"
-	;;
-esac
-
 pbuild::configure() {
 	CC=$MPICC
 	CXX=$MPICXX

MPI/parmetis/build-legacy

@@ -0,0 +1,71 @@
+#!/usr/bin/env modbuild
+
+pbuild::set_download_url "http://glaros.dtc.umn.edu/gkhome/fetch/sw/$P/$P-${V_PKG}.tar.gz"
+
+pbuild::add_to_group 'MPI'
+
+case ${V_MAJOR} in
+3 )
+	pbuild::install_docfiles CHANGES INSTALL LICENSE.txt README VERSION
+	;;
+4 )
+	pbuild::install_docfiles Changelog Install.txt LICENSE.txt
+	;;
+* )
+	std::die 4 "Unsupported major version!"
+	;;
+esac
+
+pbuild::configure() {
+	CC=$MPICC
+	CXX=$MPICXX
+	F77=$MPIF77
+	F90=$MPIF90
+	FC=$MPIFC
+	FORTRAN=$MPIFORTRAN
+	if (( V_MAJOR == 4 )) ; then
+		cmake \
+			-DCMAKE_INSTALL_PREFIX="${PREFIX}" \
+			-DMETIS_PATH="${SRC_DIR}/metis" \
+			-DGKLIB_PATH="${SRC_DIR}/metis/GKlib" \
+			"${SRC_DIR}" \
+			|| exit 1
+	fi
+}
+
+pbuild::compile() {
+	CC=$MPICC
+	CXX=$MPICXX
+	F77=$MPIF77
+	F90=$MPIF90
+	FC=$MPIFC
+	FORTRAN=$MPIFORTRAN
+	if (( V_MAJOR == 3 )) ; then
+		cd "${SRC_DIR}"
+		make -e -j3 || exit 1
+
+		mkdir -p $PREFIX/include/metis
+		mkdir -p $PREFIX/lib
+
+		cp *.h $PREFIX/include
+		cp METISLib/*.h $PREFIX/include/metis
+		cp lib*.a $PREFIX/lib
+	elif (( V_MAJOR == 4 )); then
+		make -j3 || exit 1
+		make install
+
+		LIBMETIS_A=$(find . -name libmetis.a)
+		METIS_H=$(find "${SRC_DIR}" -name metis.h)
+
+		install -m 0644 $METIS_H    $PREFIX/include
+		install -m 0644 $LIBMETIS_A $PREFIX/lib
+	else
+		std::die 42 "Unsupported version: $V"
+	fi
+}
+
+pbuild::install() {
+	:
+}
+
+# vim: filetype=sh

MPI/parmetis/files/config.yaml

@@ -0,0 +1,27 @@
+---
+# yamllint disable rule:line-length
+format: 1
+parmetis:
+  defaults:
+    group: MPI
+    overlay: base
+    relstage: stable
+    systems: [merlin-*, ra-*]
+    docfiles: [Changelog, Install.txt, LICENSE.txt]
+    urls:
+      - url: http://glaros.dtc.umn.edu/gkhome/fetch/sw/$P/$P-${V_PKG}.tar.gz 
+        name: $P-${V_PKG}.tar.gz
+
+  shasums:
+    - parmetis-4.0.3.tar.gz: f2d9a231b7cf97f1fee6e8c9663113ebf6c240d407d3c118c55b3633d6be6e5f
+
+  versions:
+    4.0.3_slurm:
+      variants:
+        - group_deps:
+            compiler:
+              gcc: [9.5.0, 10.4.0, 11.4.0, 12.3.0, 13.1.0]
+            mpi:
+              openmpi: [4.1.5_slurm]
+          build_requires: [cmake/3.20.5]
+

MPI/parmetis/files/variants.merlin6

@@ -2,4 +2,5 @@ parmetis/4.0.3_slurm	stable	gcc/{7.5.0,8.4.0,9.3.0} openmpi/3.1.6_slurm b:cmake/
 
 parmetis/4.0.3_slurm	stable	gcc/10.3.0 openmpi/4.0.5-1_slurm b:cmake/3.20.5
 parmetis/4.0.3_slurm	stable	gcc/10.4.0 openmpi/4.1.4_slurm b:cmake/3.20.5
+parmetis/4.0.3_slurm	unstable	gcc/{9.5.0,10.4.0,11.4.0,12.3.0,13.1.0} openmpi/4.1.5_slurm b:cmake/3.20.5
 

MPI/parmetis/files/variants.rhel6

@@ -26,3 +26,4 @@ parmetis/4.0.3	stable		gcc/{7.5.0,8.4.0,9.3.0,10.1.0} openmpi/3.1.6 b:cmake/3.9.
 
 parmetis/4.0.3	stable		gcc/{7.5.0,8.4.0,9.3.0,10.3.0} openmpi/4.0.5 b:cmake/3.15.5
 parmetis/4.0.3	stable		gcc/10.4.0 openmpi/4.1.4 b:cmake/3.15.5
+parmetis/4.0.3	unstable		gcc/10.4.0 openmpi/4.1.5 b:cmake/3.15.5

MPI/qe/build

@@ -1,23 +1,22 @@
 #!/usr/bin/env modbuild
 
-pbuild::set_download_url "https://github.com/QEF/q-e/archive/$P-$V.tar.gz"
-
-pbuild::add_to_group 'MPI'
-
-pbuild::install_docfiles License README.md CONTRIBUTING.md
-
-pbuild::compile_in_sourcetree
-
 pbuild::pre_configure() {
-        pbuild::add_configure_args "-enable-openmp"
-}
-
-pbuild::compile() {
-        make all
-        make install
-}
-
-pbuild::install() {
-	:
+        pbuild::add_configure_args "-DQE_ENABLE_OPENMP=ON"
+        pbuild::add_configure_args "-DQE_ENABLE_MPI=ON"
+        # Recommended by the Quantum Espresso Developers
+        pbuild::add_configure_args "-DCMAKE_C_COMPILER=mpicc"
+        pbuild::add_configure_args "-DCMAKE_Fortran_COMPILER=mpif90"
+        pbuild::add_configure_args "-DCMAKE_SYSTEM_PROCESSOR=x86_64"
+
+        case "${COMPILER}" in
+                nvhpc )
+                        pbuild::add_configure_args "-DQE_ENABLE_CUDA=ON"
+                        pbuild::add_configure_args "-DQE_ENABLE_MPI_GPU_AWARE=ON"
+                        pbuild::add_configure_args "-DQE_ENABLE_OPENACC=ON"
+                        pbuild::add_configure_args "-DNVFORTRAN_CUDA_VERSION=12.1"
+                        pbuild::add_configure_args "-DNVFORTRAN_CUDA_CC=60"
+                        ;;
+        esac
+
 }
 

MPI/qe/files/config.yaml

@@ -0,0 +1,32 @@
+---
+# yamllint disable rule:line-length
+format: 1
+qe:
+  defaults:
+    group: MPI
+    overlay: base
+    relstage: stable
+    systems: [rhel7, rhel8, rhel9]
+    docfiles: [AUTHORS, LICENSE, NEWS, README]
+    configure_with: cmake
+    urls:
+      - url: https://gitlab.com/QEF/q-e/-/archive/qe-${V_PKG}/q-e-qe-${V_PKG}.tar.bz2
+  shasums:
+    qe-7.3.1.tar.bz2: 4955e4ca5e47a0faafefc72442155bef02ff94c8b796698ad81d4804a1cf6d88
+
+  versions:
+    7.3.1:
+      variants:
+        - systems: [merlin-*, ra-*]
+          group_deps:
+            compiler: {gcc: [13.1.0]}
+            mpi: {openmpi: [4.1.5_slurm]}
+          relstage: unstable
+          build_requires: [cmake/3.26.3, git/2.39.1, lapack/3.10.0, OpenBLAS/0.3.23, hdf5/1.13.1_slurm]
+        - systems: [merlin-*, ra-*]
+          group_deps:
+            compiler: {nvhpc: [23.5_cuda_12.1]}
+            mpi: {openmpi: [4.1.4_slurm]}
+          relstage: unstable
+          build_requires: [cmake/3.26.3, git/2.39.1]
+          runtime_deps: [libfabric/1.18.0]