Feature / Application Context

.ci/include/cscs/01-test-templates.yml

@@ -8,30 +8,29 @@ include:
   image: ${UENV_NAME}/${UENV_VERSION}:${UENV_TAG}
   variables:
     WITH_UENV_VIEW: "default"
-    CFLAGS: "-O3 -fopenmp -mtune=neoverse-v2 -mcpu=neoverse-v2"
-    CXXFLAGS: "-O3 -fopenmp -mtune=neoverse-v2 -mcpu=neoverse-v2"
-    LDFLAGS: "-fopenmp"
+#    CFLAGS: "-O3 -fopenmp -mtune=neoverse-v2 -mcpu=neoverse-v2"
+#    CXXFLAGS: "-O3 -fopenmp -mtune=neoverse-v2 -mcpu=neoverse-v2"
+#    LDFLAGS: "-fopenmp"
   before_script:
     - |
       if test "${SLURM_PROCID}" -eq "0"; then
         export CC="$(which mpicc)"
         export CXX="$(which mpicxx)"
-        mkdir -p install_dir
-        autoconf
-        ./configure \
-          --enable-quda_experimental \
-          --enable-mpi \
-          --enable-omp \
-          --with-mpidimension=4 \
-          --disable-sse2 \
-          --disable-sse3 \
-          --enable-alignment=32 \
-          --with-qudadir="/user-environment/env/default" \
-          --with-limedir="/user-environment/env/default" \
-          --with-lemondir="/user-environment/env/default" \
-          --with-lapack="-lopenblas -L/user-environment/env/default/lib" \
-          --with-cudadir="/user-environment/env/default/lib64" \
-          --prefix="$(pwd)/install_dir"
+        mkdir -p build_dir
+        cd build_dir
+        cmake -DCMAKE_PREFIX_PATH="/user-environment/env/default" \
+              -DTM_USE_MPI=ON \
+              -DTM_USE_CUDA=ON \
+              -DCMAKE_C_CFLAGS="-O3 -mtune=neoverse-v2 -mcpu=neoverse-v2" \
+              -DCMAKE_CXX_FLAGS="-O3 -mtune=neoverse-v2 -mcpu=neoverse-v2" \
+              -DCMAKE_CUDA_ARCHITECTURES=90a \
+              -DTM_USE_OMP=ON \
+              -DTM_USE_QUDA=ON \
+              -DTM_USE_LEMON=ON \
+              -DTM_ENABLE_ALIGNMENT=32 \
+              -DTM_USE_GAUGE_COPY-ON \
+              -DTM_USE_HALFSPINOR=ON \
+              -DCMAKE_INSTALL_PREFIX=../install_dir ..
         make
         make install
         touch preparation-done-${CI_JOB_ID}

.ci/uenv-recipes/tmlqcd/daint-gh200/repo/packages/lemonio/package.py

@@ -2,12 +2,13 @@
 #
 # SPDX-License-Identifier: (Apache-2.0 OR MIT)
 
-from spack_repo.builtin.build_systems.autotools import AutotoolsPackage
+from spack_repo.builtin.build_systems import cmake
+from spack_repo.builtin.build_systems.cmake import CMakePackage, generator
 
 
 from spack.package import *
 
-class Lemonio(AutotoolsPackage):
+class Lemonio(AutotoolsPackage, CMakePackage):
     """LEMON: Lightweight Parallel I/O library for Lattice QCD."""
 
     homepage = "https://github.com/etmc/lemon"
@@ -16,13 +17,18 @@ class Lemonio(AutotoolsPackage):
 
     version('master', branch='master')
 
-    depends_on("autoconf", type="build", when="@master build_system=autotools")
-    depends_on("automake", type="build", when="@master build_system=autotools")
-    depends_on("libtool", type="build", when="@master build_system=autotools")
+    depends_on("libtool", type="build", when="@master build_system=cmake")
+    depends_on("cmake", type="build", when="master build_system=cmake")
 
     depends_on('mpi')
 
-    def configure_args(self):
-        args = []
-        args.append('CC={0}'.format(self.spec['mpi'].mpicc))
+    generator("ninja")
+
+class CMakeBuilder(cmake.CMakeBuilder):
+    def cmake_args(self):
+        spec = self.spec
+        args = [
+            self.define_from_variant("DBUILD_SHARED_LIBS", "shared"),
+        ]
         return args
+

.ci/uenv-recipes/tmlqcd/daint-gh200/repo/packages/tmlqcd/package.py

@@ -0,0 +1,113 @@
+# Copyright Spack Project Developers. See COPYRIGHT file for details.
+#
+# SPDX-License-Identifier: (Apache-2.0 OR MIT)
+
+from spack_repo.builtin.build_systems.cmake import CmakePackage
+from spack_repo.builtin.build_systems.rocm import ROCmPackage
+from spack_repo.builtin.build_systems.cuda import CudaPackage
+
+from spack.package import *
+
+class Tmlqcd(CmakePackage, CudaPackage, ROCmPackage):
+"""Base class for building tmlQCD."""
+
+    homepage = "https://www.itkp.uni-bonn.de/~urbach/software.html"
+    url = "https://github.com/etmc/tmLQCD/archive/refs/tags/rel-5-1-6.tar.gz"
+    git = "https://github.com/etmc/tmLQCD.git"
+    license("GPL-3.0-or-later")
+
+    maintainers("mtaillefumier")
+    version("master", branch="master")
+
+    variant("lemon", default=False, description="Enable the lemon backend")
+    variant("mpi", default=True, description="Enable mpi support")
+    variant("DDalphaAMG", default=False, description="Enable DAlphaAMG support")
+    variant("openmp", default=True, description="Enable OpenMP")
+    variant("fftw", default=True, description="Enable FFTW interface")
+    variant(
+        "persistent_mpi",
+        default=True,
+        description="Enable persistent mpi calls for spinor and gauge fields",
+        when="+mpi",
+    )
+    variant(
+        "nonblocking_mpi",
+        default=True,
+        description="Enable non-blocking mpi calls for spinor and gauge fields",
+        when="+mpi",
+    )
+    variant("fixedvolume", default=True, description="Enable fixed volume at compile time")
+    variant(
+        "alignment",
+        default="auto",
+        values=("none", "auto", "16", "32", "64"),
+        description="Automatically or expliclty align arrays",
+    )
+    variant("gauge_copy", default=True, description="Enable gauge field copy")
+    variant("half_spinor", default=True, description="Use a Dirac operator with half-spinor")
+    variant("shared", default=False, description="Enable shared library")
+    variant("shmem", default=False, description="Use shmem API")
+    variant("quda", default=True, description="Enable the QUDA library", when="+cuda",)
+    variant("quda", default=True, description="Enable the QUDA library", when="+rocm",)
+    variant(
+        "QPhiX", default=False, description="Enable the QPhiX library for Intel Xeon and Xeon Phis"
+    )
+    variant(
+        "mpi_dimensions",
+        default="4",
+        values=("1", "2", "3", "4", "x", "xy", "xyz"),
+        description="number of dimensions the mpi processes are distributed. the default is parallelization over all four dimensions txyz",
+        when="+mpi",
+    )
+
+    generator("ninja")
+
+    # language dependencies
+    depends_on("c", type="build")
+    depends_on("cxx", type="build")
+    depends_on("fortran", type="build")
+
+    # conflicts
+    conflicts("+cuda", when="cuda_arch=none")
+    conflicts("+rocm", when="amdgpu_target=none")
+
+    # hard dependencies
+    depends_on("c-lime")
+    depends_on("blas")
+    depends_on("lapack")
+    depends_on("pkgconfig", type="build")
+
+     # dependencies
+    depends_on("mpi", when="+mpi")
+    depends_on("lemon-io", when="+lemon")
+
+    with when("+quda"):
+        depends_on(
+            "quda+twisted_mass+twisted_clover+clover+ndeg_twisted_clover+ndeg_twisted_mass+wilson+qdp+staggered+usqcd+multigrid"
+        )
+
+        depends_on("quda+mpi", when="+mpi")
+        depends_on("quda+cuda", when="+cuda")
+        depends_on("quda+rocm", when="+rocm")
+        depends_on("quda+nvshmem", when="+shmem")
+
+    depends_on("fftw-api@3", when="+fftw")
+
+class CMakeBuilder(cmake.CMakeBuilder):
+    def cmake_args(self):
+        spec = self.spec
+        args = [
+            self.define_from_variant("DBUILD_SHARED_LIBS", "shared"),
+            self.define_from_variant("TM_USE_LEMON", "lemon"),
+            self.define_from_variant("TM_USE_MPI", "mpi"),
+            self.define_from_variant("TM_USE_QUDA", "quda"),
+            self.define_from_variant("TM_USE_CUDA","cuda"),
+            self.define_from_variant("TM_USE_HIP", "cuda"),
+            self.define_from_variant("TM_USE_FFTW", "fftw"),
+            self.define_from_variant("TM_FIXEDVOLUME", "fixed_volume"),
+            self.define_from_variant("TM_USE_OMP", "openmp"),
+            self.define_from_variant("TM_USE_SHMEM", "shmem"),
+            self.define_from_variant("TM_USE_GAUGE_COPY", "gauge_copy"),
+            self.define_from_variant("TM_USE_HALFSPINOR", "half_spinor"),
+        ]
+        return args

.github/workflows/basic-build.yaml

@@ -35,16 +35,16 @@ jobs:
           repository: usqcd-software/c-lime
           path: lime
 
-      - name: autogen_lime
+      - name: create_builddir_lime
         working-directory: ${{github.workspace}}/lime
-        run: ./autogen.sh && mkdir build
+        run: mkdir build
 
       - name: build_lime
         working-directory: ${{github.workspace}}/lime/build
         run: |
           CC=gcc \
             CFLAGS="-march=haswell -mtune=haswell -O2" \
-            ../configure --prefix=$(pwd)/install_dir
+            cmake -DCMAKE_INSTALL_PREFIX=$(pwd)/install_dir .. >> config.log
           make -j
           make install
 
@@ -61,20 +61,19 @@ jobs:
           repository: etmc/lemon
           path: lemon
 
-      - name: autogen_lemon
+      - name: create_builddir_lemon
         working-directory: ${{github.workspace}}/lemon
         run: |
-          autoreconf -i -f
           mkdir build
 
       - name: build_lemon
         working-directory: ${{github.workspace}}/lemon/build
         run: |
           CC=mpicc \
             CFLAGS="-march=haswell -mtune=haswell -O2" \
-            ../configure --prefix=$(pwd)/install_dir
+            cmake -DCMAKE_INSTALL_PREFIX=$(pwd)/install_dir ..
           make -j
-          make install
+          make install > config.log
 
       - name: Archive lemon config.log
         if: ${{ always() }}
@@ -92,28 +91,19 @@ jobs:
         shell: bash
         run: mkdir ${{github.workspace}}/main/build
 
-      - name: autogen_tmlqcd
-        working-directory: ${{github.workspace}}/main
-        run: autoconf
-
       - name: configure_and_build
         shell: bash
         working-directory: ${{github.workspace}}/main/build
         run: |
-          CC=mpicc CXX=mpicxx \
-            LDFLAGS="-fopenmp" \
             CFLAGS="-O2 -mtune=haswell -march=haswell -mavx2 -mfma -DOMPI_SKIP_MPICXX -fopenmp" \
             CXXFLAGS="-O2 -mtune=haswell -march=haswell -mavx2 -mfma -DOMPI_SKIP_MPICXX -fopenmp" \
-            ../configure \
-            --enable-mpi \
-            --with-mpidimension=4 \
-            --enable-omp \
-            --disable-sse2 \
-            --disable-sse3 \
-            --with-limedir=${{github.workspace}}/lime/build/install_dir \
-            --with-lemondir=${{github.workspace}}/lemon/build/install_dir \
-            --with-lapack="-lblas -llapack" || cat config.log
-          make -j
+            cmake -DCMAKE_PREFIX_PATH="${{github.workspace}}/lime/build/install_dir;${{github.workspace}}/lemon/build/install_dir" \
+            -DTM_USE_MPI=ON \
+            -DTM_USE_OMP=ON \
+            -DTM_USE_LEMON=ON \
+            .. > config.log
+            cat config.log
+            make -j
 
       - name: Archive tmLQCD config.log
         if: ${{ always() }}
@@ -125,7 +115,7 @@ jobs:
       - name: nf2_rgmixedcg_hmc_tmcloverdetratio
         working-directory: ${{github.workspace}}/main/build
         run: |
-          mpirun -np 2 ./hmc_tm \
+          mpirun -np 2 src/bin/hmc_tm \
             -f ../doc/sample-input/sample-hmc-rgmixedcg-tmcloverdetratio.input
 
       - name: Archive nf2_rgmixedcg_hmc_tmcloverdetratio output

.github/workflows/ddalphaamg-build.yaml

@@ -40,19 +40,16 @@ jobs:
           repository: usqcd-software/c-lime
           path: lime
 
-      - name: autogen_lime
+      - name: create_builddir_lime
         working-directory: ${{github.workspace}}/lime
-        run: ./autogen.sh
-
-      - name: create_lime_builddir
-        run: mkdir ${{github.workspace}}/lime/build
+        run: mkdir build
 
       - name: build_lime
         working-directory: ${{github.workspace}}/lime/build
         run: |
           CC=gcc \
             CFLAGS="-march=haswell -mtune=haswell -O2" \
-            ../configure --prefix=$(pwd)/install_dir
+            cmake -DCMAKE_INSTALL_PREFIX=$(pwd)/install_dir .. >> config.log
           make -j
           make install
 
@@ -69,23 +66,20 @@ jobs:
           repository: etmc/lemon
           path: lemon
 
-      - name: create_lemon_builddir
-        run: mkdir ${{github.workspace}}/lemon/build
-
-      - name: autogen_lemon
+      - name: create_builddir_lemon
         working-directory: ${{github.workspace}}/lemon
-        run: autoreconf -i -f
+        run: |
+          mkdir build
 
       - name: build_lemon
         working-directory: ${{github.workspace}}/lemon/build
         run: |
           CC=mpicc \
             CFLAGS="-march=haswell -mtune=haswell -O2" \
-            ../configure \
-            --prefix=$(pwd)/install_dir
+            cmake -DCMAKE_INSTALL_PREFIX=$(pwd)/install_dir ..
           make -j
-          make install
-
+          make install > config.log
+      
       - name: Archive lemon config.log
         if: ${{ always() }}
         uses: actions/upload-artifact@v4
@@ -111,10 +105,6 @@ jobs:
         shell: bash
         run: mkdir ${{github.workspace}}/main/build
 
-      - name: autogen_tmlqcd
-        working-directory: ${{github.workspace}}/main
-        run: autoconf
-
       - name: configure_and_build
         shell: bash
         working-directory: ${{github.workspace}}/main/build
@@ -123,22 +113,19 @@ jobs:
             LDFLAGS="-fopenmp" \
             CFLAGS="-O2 -mtune=haswell -march=haswell -mavx2 -mfma -DOMPI_SKIP_MPICXX -fopenmp" \
             CXXFLAGS="-O2 -mtune=haswell -march=haswell -mavx2 -mfma -DOMPI_SKIP_MPICXX -fopenmp" \
-            ../configure \
-            --enable-mpi \
-            --with-mpidimension=4 \
-            --enable-omp \
-            --disable-sse2 \
-            --disable-sse3 \
-            --with-limedir=${{github.workspace}}/lime/build/install_dir \
-            --with-lemondir=${{github.workspace}}/lemon/build/install_dir \
-            --with-DDalphaAMG=${{github.workspace}}/ddalphaamg \
-            --with-lapack="-lblas -llapack" || cat config.log
+            cmake -DCMAKE_PREFIX_PATH="${{github.workspace}}/lime/build/install_dir;${{github.workspace}}/lemon/build/install_dir;${{github.workspace}}/ddalphaamg" \
+            -DTM_USE_MPI=ON \
+            -DTM_USE_OMP=ON \
+            -DTM_USE_LEMON=ON \
+            -DTM_USE_DDalphaAMG=ON \
+            .. > config.log
+            cat config.log
           make -j
 
       - name: nf2_ddalphaamg_hmc_tmcloverdetratio
         working-directory: ${{github.workspace}}/main/build
         run: |
-          mpirun -np 2 ./hmc_tm \
+          mpirun -np 2 src/bin/hmc_tm \
             -f ../doc/sample-input/sample-hmc-ddalphaamg-tmcloverdetratio.input
 
       - name: Archive nf2_ddalphaamg_hmc_tmcloverdetratio output