ADD: HyQuas package

env/merlin/HyQuas/packages/hyquas/package.py

@@ -0,0 +1,63 @@
+# Copyright 2013-2022 Lawrence Livermore National Security, LLC and other
+# Spack Project Developers. See the top-level COPYRIGHT file for details.
+#
+# SPDX-License-Identifier: (Apache-2.0 OR MIT)
+
+# ----------------------------------------------------------------------------
+# If you submit this package back to Spack as a pull request,
+# please first remove this boilerplate and all FIXME comments.
+#
+# This is a template package file for Spack.  We've put "FIXME"
+# next to all the things you'll want to change. Once you've handled
+# them, you can save this file and test your package like this:
+#
+#     spack install hyquas
+#
+# You can edit this file again by typing:
+#
+#     spack edit hyquas
+#
+# See the Spack documentation for more information on packaging.
+# ----------------------------------------------------------------------------
+
+from spack.package import *
+
+class Hyquas(CMakePackage, CudaPackage):
+    """HyQuas is a Hybrid partitioner based Quantum circuit Simulation system on GPU, which supports both single-GPU,
+    single-node-multi-GPU, and multi-node-multi-GPU quantum circuit simulation."""
+
+    homepage = "https://github.com/thu-pacman/HyQuas#readme"
+    git = "https://github.com/thu-pacman/HyQuas.git"
+
+    maintainers = ["germanne"]
+
+    version('main', submodules=True)
+
+    depends_on("cmake", type=('build'))
+    depends_on("mpi", type=('build','link', 'run'))
+
+    for value in CudaPackage.cuda_arch_values:
+        depends_on("nccl@2.9.6-1+cuda cuda_arch={0}".format(value), type=('link', 'run'), when='cuda_arch={0}'.format(value))
+
+    variant("cuda", default=True, description="Build with CUDA")
+
+    conflicts("~cuda", msg="HyQuas requires CUDA")
+
+    build_directory = 'build'
+
+    def setup_build_environment(self, env):
+        cuda_arch = self.spec.variants['cuda_arch'].value[0]
+        env.set('CUDA_NVCC_FLAGS', '-Xcompiler -fopenmp -std=c++14 -O2 -g -arch=compute_' + cuda_arch + '-code=sm_' + cuda_arch + '--ptxas-options=-v -lineinfo -keep')
+        env.set('GENCODE_FLAGS', '-gencode arch=compute_' + cuda_arch +',code=sm_' + cuda_arch)
+       # env.set("CUDA_HOME", self.spec['cuda'].prefix)
+        env.set("NCCL_ROOT", self.spec['nccl'].prefix)
+
+    @run_before('cmake')
+    def build_cutt(self):
+        with working_dir('./third-party/cutt'):
+            make()
+
+    def install(self, spec, prefix):
+        mkdir(prefix.bin)
+        with working_dir(self.build_directory):
+            install('main', prefix.bin)

env/merlin/HyQuas/repo.yaml

@@ -0,0 +1,2 @@
+repo:
+  namespace: HiQsimulator

env/merlin/HyQuas/spack.yaml

@@ -0,0 +1,21 @@
+spack:
+  concretizer:
+    unify: true
+  definitions:
+  - mpi_nvhpc:
+    - ^openmpi@4.1.4%nvhpc+cuda fabrics=ucx,knem,ofi,cma,hcoll schedulers=slurm +pmi
+      ^ucx%gcc@1.13.0 ^cuda@11.5.1 ^slurm@21-08-8-2 ^hwloc@2.7.1 ^knem@1.1.4 ^pmix@4.1.2
+  include:
+  - sysconfigs/config.yaml
+  - sysconfigs/compilers.yaml
+  - sysconfigs/packages.yaml
+  repos:
+  - .
+  specs:
+  - hyquas@main%nvhpc+cuda cuda_arch=70 ^nccl%gcc ^openmpi@4.1.4%nvhpc+cuda fabrics=ucx,knem,ofi,cma,hcoll
+    schedulers=slurm +pmi ^ucx@1.13.0%gcc ^cuda@11.5.1 ^slurm@21-08-8-2 ^hwloc@2.7.1
+    ^knem@1.1.4 ^pmix@4.1.2
+  develop:
+    hyquas:
+      path: /data/user/germann_e/HyQuas
+      spec: hyquas@main%nvhpc+cuda cuda_arch=70

env/merlin/HyQuas/sysconfigs/compilers.yaml

@@ -0,0 +1,93 @@
+---
+compilers:
+  - compiler:
+      environment: {}
+      extra_rpaths: []
+      flags: {}
+      modules: []
+      operating_system: rhel7
+      paths:
+        cc: /opt/psi/Programming/intel/22.2/compiler/2022.1.0/linux/bin/icx
+        cxx: /opt/psi/Programming/intel/22.2/compiler/2022.1.0/linux/bin/dpcpp
+        f77: /opt/psi/Programming/intel/22.2/compiler/2022.1.0/linux/bin/ifx
+        fc: /opt/psi/Programming/intel/22.2/compiler/2022.1.0/linux/bin/ifx
+      spec: dpcpp@2022.1.0
+      target: x86_64
+  - compiler:
+      environment: {}
+      extra_rpaths: []
+      flags: {}
+      modules: []
+      operating_system: rhel7
+      paths:
+        cc: /opt/psi/Programming/intel/22.2/compiler/2022.1.0/linux/bin/intel64/icc
+        cxx: /opt/psi/Programming/intel/22.2/compiler/2022.1.0/linux/bin/intel64/icpc
+        f77: /opt/psi/Programming/intel/22.2/compiler/2022.1.0/linux/bin/intel64/ifort
+        fc: /opt/psi/Programming/intel/22.2/compiler/2022.1.0/linux/bin/intel64/ifort
+      spec: intel@2021.6.0
+      target: x86_64
+  - compiler:
+      environment: {}
+      extra_rpaths: []
+      flags: {}
+      modules: []
+      operating_system: rhel7
+      paths:
+        cc: /opt/psi/Programming/intel/22.2/compiler/2022.1.0/linux/bin/icx
+        cxx: /opt/psi/Programming/intel/22.2/compiler/2022.1.0/linux/bin/icpx
+        f77: /opt/psi/Programming/intel/22.2/compiler/2022.1.0/linux/bin/ifx
+        fc: /opt/psi/Programming/intel/22.2/compiler/2022.1.0/linux/bin/ifx
+      spec: oneapi@2022.1.0
+      target: x86_64
+  - compiler:
+      environment: {}
+      extra_rpaths: []
+      flags: {}
+      modules: []
+      operating_system: rhel7
+      paths:
+        cc: /opt/psi/Programming/gcc/8.3.0/bin/gcc
+        cxx: /opt/psi/Programming/gcc/8.3.0/bin/g++
+        f77: /opt/psi/Programming/gcc/8.3.0/bin/gfortran
+        fc: /opt/psi/Programming/gcc/8.3.0/bin/gfortran
+      spec: gcc@8.3.0
+      target: x86_64
+  - compiler:
+      environment: {}
+      extra_rpaths: []
+      flags: {}
+      modules: []
+      operating_system: rhel7
+      paths:
+        cc: /opt/psi/Programming/gcc/12.1.0/bin/gcc
+        cxx: /opt/psi/Programming/gcc/12.1.0/bin/g++
+        f77: /opt/psi/Programming/gcc/12.1.0/bin/gfortran
+        fc: /opt/psi/Programming/gcc/12.1.0/bin/gfortran
+      spec: gcc@12.1.0
+      target: x86_64
+  - compiler:
+      environment: {}
+      extra_rpaths: []
+      flags: {}
+      modules: []
+      operating_system: rhel7
+      paths:
+        cc: /opt/psi/Programming/clang/12.0.0_rhel7/bin/clang
+        cxx: /opt/psi/Programming/clang/12.0.0_rhel7/bin/clang++
+        f77: null
+        fc: null
+      spec: clang@12.0.0
+      target: x86_64
+  - compiler:
+      environment: {}
+      extra_rpaths: []
+      flags: {}
+      modules: []
+      operating_system: rhel7
+      paths:
+        cc: /opt/psi/Programming/pgi/21.5/Linux_x86_64/21.5/compilers/bin/nvc
+        cxx: /opt/psi/Programming/pgi/21.5/Linux_x86_64/21.5/compilers/bin/nvc++
+        f77: /opt/psi/Programming/pgi/21.5/Linux_x86_64/21.5/compilers/bin/nvfortran
+        fc: /opt/psi/Programming/pgi/21.5/Linux_x86_64/21.5/compilers/bin/nvfortran
+      spec: nvhpc@21.5
+      target: x86_64

env/merlin/HyQuas/sysconfigs/config.yaml

@@ -0,0 +1,6 @@
+config:
+  build_stage:
+    - /data/user/$USER/spack/spack-stages
+  install_tree:
+    root: /data/user/$USER/spack/spack-install
+  source_cache: /data/user/$USER/spack/spack-source_cache

env/merlin/HyQuas/sysconfigs/packages.yaml

@@ -0,0 +1,292 @@
+---
+packages:
+  all:
+    compiler:
+      - gcc@12.1.0
+    target:
+      - haswell
+    providers:
+      pkgconfig: [pkg-config]
+    permissions:
+      read: user
+      write: user
+  binutils:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: binutils@2.38
+  bzip2:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: bzip2@1.0.6
+  cmake:
+    buildable: false
+    externals:
+      - prefix: /opt/psi/Programming/cmake/3.23.2
+        spec: cmake@3.23.2
+  cpio:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: cpio@2.11
+  curl:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: curl@7.29.0
+  cvs:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: cvs@1.11.23
+  diffutils:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: diffutils@3.3
+  doxygen:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: doxygen@1.8.5
+  expat:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: expat@1.6.0
+  file:
+    externals:
+      - prefix: /usr
+        spec: file@5.11
+  findutils:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: findutils@4.5.11
+  flex:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: flex@2.5.37+lex
+   # E.G: only available from already downloaded source, so I put it here
+  gams:
+    externals:
+      - prefix: /opt/psi/Tools/GAMS/31.1.1/gams31.1_linux_x64_64_sfx
+        spec: gams@31.1.1
+  gawk:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: gawk@4.0.2
+  ghostscript:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: ghostscript@9.25
+  git:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: git@1.8.3.1~tcltk
+  glew:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: glew@1.10.0
+  gmake:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: gmake@3.82
+  groff:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: groff@1.22.2
+  hcoll:
+    buildable: false
+    externals:
+      - prefix: /opt/mellanox/hcoll
+        spec: hcoll@3.9.1927
+  fftw:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: fftw@3.3.3
+  intel-oneapi-mkl:
+    buildable: false
+    externals:
+      - prefix: /opt/psi/Programming/intel/22.2
+        spec: intel-oneapi-mkl@2022.1.0
+  intel-oneapi-mpi:
+    buildable: false
+    externals:
+      - prefix: /opt/psi/Programming/intel/22.2
+        spec: intel-oneapi-mpi@2021.6.0
+  libcroco:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: libcroco@0.6.13
+  libevent:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: libevent@2.0
+  libfabric:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: libfabric@1.10.2
+  libfuse:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: libfuse@3.6.1
+  libice:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: libice@6.3.0
+  libjpeg-turbo:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: libjpeg-turbo@62.1.0
+  libpthread:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: libpthread@2.17
+  libpthread-stubs:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: libpthread-stubs@0.4
+  libreadline:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: libreadline@6.2
+  libtiff:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: libtiff@5.2.0
+  libx11:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: libx11@6.3.0
+  libxext:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: libxext@6.4.0
+  libxft:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: libxft@2.3.2
+  libxpm:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: libxpm@4.11.0
+  libxt:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: libxt@6.0.0
+  m4:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: m4@1.4.16
+  # E.G: only available from already downloaded source, so I put it here
+  mxm:
+    buildable: false
+    externals:
+      - prefix: /opt/psi/System/mxm/3.6.3104
+        spec: mxm@3.6.3104
+  ncurses:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: ncurses@5.9.20130511
+  nlohmann-json:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: nlohmann-json@3.10.5
+  numactl:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: numactl@2.0.14
+  openssh:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: openssh@7.4p1
+  openssl:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: openssl@1.0.2k-fips
+  pcre:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: pcre@8.32
+  pkg-config:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: pkg-config@0.27.1
+  rsync:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: rsync@3.1.2
+  ruby:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: ruby@2.0.0p648
+  sed:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: sed@4.2.2
+  sqlite:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: sqlite@3.7.17
+  subversion:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: subversion@1.7.14
+  tar:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: tar@1.26
+  texinfo:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: texinfo@5.1
+  xerces-c:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: xerces-c@3.1
+  xz:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: xz@5.2.2