ADD: ffbidx package

env/merlin/ffbidx/packages/ffbidx/package.py

@@ -0,0 +1,92 @@
+# 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 ffbidx
+#
+# You can edit this file again by typing:
+#
+#     spack edit ffbidx
+#
+# See the Spack documentation for more information on packaging.
+# ----------------------------------------------------------------------------
+
+from spack.package import *
+
+
+class Ffbidx(CMakePackage, CudaPackage):
+    """Develop an indexer for fast feedback"""
+
+    homepage = "https://github.com/paulscherrerinstitute/fast-feedback-indexer.git"
+    git = "https://github.com/paulscherrerinstitute/fast-feedback-indexer.git"
+
+    maintainers = ["hcstadler"]
+
+    version('main')
+
+    variant('build_type', default='Release',
+            description='CMake build type',
+            values=('Debug', 'Release', 'RelWithDebInfo', 'MinSizeRel'))
+    variant("cuda", default=True, description="Build with CUDA")
+    variant("fast_indexer", default=True, description="Build the fast indexer" )
+    variant("python", default=False, description="Build python modules")
+    variant("simple_data_files", default=False, description="Install simple data files")
+    variant("simple_data_indexer", default=False, description="Build simple data indexer")
+    variant("test_all", default=False, description="Enable testing")
+
+    depends_on("python@3.1.5:", when='+python')
+    depends_on("py-numpy", when='+python')
+    depends_on("eigen@3.4.0:", type=('build', 'link'), when='+simple_data_indexer')
+    depends_on("cmake@3.21.0:", type='build')
+
+    conflicts('cuda_arch=none', when='+fast_indexer',
+              msg='CUDA architecture is required when building the fast indexer!')
+    conflicts("~cuda", when='+fast_indexer', msg="Ffbidx requires CUDA!'")
+
+    conflicts('+python', when='~fast_indexer',
+              msg='PYTHON_MODULE needs -DBUILD_FAST_INDEXER=1 as a cmake argument')
+    conflicts('+test_all', when='~simple_data_indexer~fast_indexer',
+              msg='Tests need the build of both indexers')
+
+    # Conflicts for compilers without C++17 support
+    conflicts('gcc@:6.5.0')
+    conflicts('intel@:18.0.5')
+
+    # Add ctest stage if +test_all in spec
+    @run_after('build')
+    def test(self):
+        if '+test_all' in self.spec:
+            with working_dir(self.build_directory):
+                ctest = Executable("ctest")
+                ctest()
+
+    def cmake_args(self):
+        args = [
+            self.define_from_variant('BUILD_FAST_INDEXER', 'fast_indexer'),
+            self.define_from_variant('BUILD_SIMPLE_DATA_INDEXER', 'simple_data_indexer'),
+            self.define_from_variant('BUILD_SIMPLE_DATA_READER', 'simple_data_indexer'),
+            self.define_from_variant('CMAKE_CUDA_ARCHITECTURES', 'cuda_arch'),
+            self.define_from_variant('INSTALL_SIMPLE_DATA_FILES', 'simple_data_files'),
+            self.define_from_variant('PYTHON_MODULE', 'python'),
+            self.define_from_variant('TEST_ALL', 'test_all'),
+        ]
+
+        return args
+
+    # Set PATHS for run time
+    def setup_run_environment(self, env):
+        env.append_path('CPATH', self.prefix.include)
+        env.append_path('LD_LIBRARY_PATH', self.prefix.lib64)
+        env.append_path('LIBRARY_PATH', self.prefix.lib64)
+        env.append_path('PKG_CONFIG_PATH', self.prefix.share.ffbidx.pkgconfig)
+        if '+python' in self.spec:
+            env.append_path('PYTHONPATH', self.prefix.lib64.ffbidx)

env/merlin/ffbidx/repo.yaml

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

env/merlin/ffbidx/spack.yaml

@@ -0,0 +1,11 @@
+spack:
+  concretizer:
+    unify: when_possible
+  include:
+  - sysconfigs/config.yaml
+  - sysconfigs/compilers.yaml
+  - sysconfigs/packages.yaml
+  repos:
+  - .
+  specs:
+  - ffbidx@main cuda_arch=60 +python +simple_data_indexer +simple_data_files +test_all ^openblas

env/merlin/ffbidx/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/9.5.0/bin/gcc
+        cxx: /opt/psi/Programming/gcc/9.5.0/bin/g++
+        f77: /opt/psi/Programming/gcc/9.5.0/bin/gfortran
+        fc: /opt/psi/Programming/gcc/9.5.0/bin/gfortran
+      spec: gcc@9.5.0
+      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/ffbidx/sysconfigs/config.yaml

@@ -0,0 +1,4 @@
+config:
+  build_stage:
+    - /scratch/$USER/spack/spack-stages
+  source_cache: /scratch/$USER/spack/spack-source_cache

env/merlin/ffbidx/sysconfigs/packages.yaml

@@ -0,0 +1,282 @@
+---
+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
+   # 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
+  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
+  slurm:
+    buildable: false
+    externals:
+      - prefix: /usr
+        spec: slurm@21-08-8-2
+  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