mirror of
https://github.com/cp2k/cp2k.git
synced 2026-07-21 14:35:15 -04:00
Include libxsmm in Spack builds and use it for DBCSR
A local Spack package file for libxsmm is included with only a minor modification: The build dependency on "binutils+ld+gas@2.33:" is commented.
This commit is contained in:
Matthias Krack
parent
b8dc6169e0
commit
7ebcc369d2
4 changed files with 189 additions and 7 deletions
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@ -49,9 +49,8 @@ if [[ "${PROFILE}" == "spack" ]] && [[ "${VERSION}" == "psmp" ]]; then
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-DCMAKE_INSTALL_PREFIX="${INSTALL_PREFIX}" \
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-DCP2K_USE_EVERYTHING=ON \
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-DCP2K_USE_DLAF=OFF \
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-DCP2K_USE_LIBXSMM=OFF \
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-DCP2K_USE_TBLITE=OFF \
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-DCP2K_USE_OPENPMD=ON \
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-DCP2K_USE_TBLITE=OFF \
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-Werror=dev \
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.. |& tee ./cmake.log
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CMAKE_EXIT_CODE=$?
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@ -62,7 +61,6 @@ elif [[ "${PROFILE}" == "spack" ]] && [[ "${VERSION}" == "ssmp" ]]; then
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-DCMAKE_INSTALL_PREFIX="${INSTALL_PREFIX}" \
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-DCP2K_USE_EVERYTHING=ON \
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-DCP2K_USE_MPI=OFF \
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-DCP2K_USE_LIBXSMM=OFF \
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-DCP2K_USE_TBLITE=OFF \
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-Werror=dev \
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.. |& tee ./cmake.log
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@ -21,6 +21,7 @@ spack:
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prefer:
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- "~cuda"
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- "+mpi"
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- "+mpi_f08"
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- "+openmp"
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- "+pic"
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- "~rocm"
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@ -59,6 +60,10 @@ spack:
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require:
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- openblas
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libxsmm:
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require:
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- "blas=default"
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openblas:
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require:
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- "+fortran"
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@ -81,7 +86,7 @@ spack:
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require:
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- "~examples"
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- "+openmp"
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- "smm=blas"
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- "smm=libxsmm"
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deepmdkit:
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require:
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@ -174,7 +179,7 @@ spack:
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- libvdwxc@0.4.0
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- libvori@220621
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- libxc@7.0.0
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# - libxsmm@1.17
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- libxsmm@1.17
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- mimic-mcl@3.0.0
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- mpich@4.3.2
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- netlib-scalapack@2.2.2
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@ -21,6 +21,7 @@ spack:
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prefer:
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- "~cuda"
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- "~mpi"
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- "~mpi_f08"
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- "+openmp"
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- "+pic"
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- "~rocm"
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@ -43,6 +44,10 @@ spack:
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require:
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- openblas
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libxsmm:
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require:
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- "blas=default"
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openblas:
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require:
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- "+fortran"
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@ -53,7 +58,7 @@ spack:
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require:
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- "~examples"
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- "+openmp"
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- "smm=blas"
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- "smm=libxsmm"
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deepmdkit:
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require:
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@ -110,7 +115,7 @@ spack:
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- libint@2.11.1
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- libvori@220621
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- libxc@7.0.0
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# - libxsmm@1.17
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- libxsmm@1.17
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- openblas@0.3.30
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- py-torch@2.9.0
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- spglib@2.5.0
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174
tools/spack/spack_repo/cp2k_dev/packages/libxsmm/package.py
Normal file
174
tools/spack/spack_repo/cp2k_dev/packages/libxsmm/package.py
Normal file
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@ -0,0 +1,174 @@
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# Copyright Spack Project Developers. See COPYRIGHT file for details.
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#
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# SPDX-License-Identifier: (Apache-2.0 OR MIT)
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import os
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from glob import glob
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from spack_repo.builtin.build_systems.makefile import MakefilePackage
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from spack.package import *
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class Libxsmm(MakefilePackage):
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"""Library for specialized dense
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and sparse matrix operations,
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and deep learning primitives."""
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homepage = "https://github.com/libxsmm/libxsmm"
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url = "https://github.com/libxsmm/libxsmm/archive/1.17.tar.gz"
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git = "https://github.com/libxsmm/libxsmm.git"
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maintainers("hfp")
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license("BSD-3-Clause")
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# 2.0 release is planned for Jan / Feb 2024. This commit from main is added
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# as a stable version that supports other targets than x86. Remove this
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# after 2.0 release.
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version("main-2023-11", commit="0d9be905527ba575c14ca5d3b4c9673916c868b2")
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version("main", branch="main")
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version("1.17-cp2k", commit="6f883620f58afdeebab28039fc9cf580e76a5ec6")
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version(
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"1.17",
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sha256="8b642127880e92e8a75400125307724635ecdf4020ca4481e5efe7640451bb92",
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preferred=True,
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)
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version("1.16.3", sha256="e491ccadebc5cdcd1fc08b5b4509a0aba4e2c096f53d7880062a66b82a0baf84")
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version("1.16.2", sha256="bdc7554b56b9e0a380fc9c7b4f4394b41be863344858bc633bc9c25835c4c64e")
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version("1.16.1", sha256="93dc7a3ec40401988729ddb2c6ea2294911261f7e6cd979cf061b5c3691d729d")
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version("1.16", sha256="4f4f2ad97815413af80821d2e306eb6f00541941ad412662da05c02361a20e07")
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version("1.15", sha256="499e5adfbf90cd3673309243c2b56b237d54f86db2437e1ac06c8746b55ab91c")
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version("1.14", sha256="9c0af4509ea341d1ee2c6c19fc6f19289318c3bd4b17844efeb9e7f9691abf76")
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version("1.13", sha256="47c034e169820a9633770eece0e0fdd8d4a744e09b81da2af8c2608a4625811e")
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version("1.12.1", sha256="3687fb98da00ba92cd50b5f0d18b39912c7886dad3856843573aee0cb34e9791")
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version("1.12", sha256="37432fae4404ca12d8c5a205bfec7f9326c2d607d9ec37680f42dae60b52382a")
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version("1.11", sha256="5fc1972471cd8e2b8b64ea017590193739fc88d9818e3d086621e5c08e86ea35")
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version("1.10", sha256="2904f7983719fd5c5af081121c1d028d45b10b854aec9a9e67996a0602631abc")
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version("1.9", sha256="cd8532021352b4a0290d209f7f9bfd7c2411e08286a893af3577a43457287bfa")
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version("1.8.3", sha256="08ed4a67731d07c739fa83c426a06a5a8fe576bc273da4bab84eb0d1f4405011")
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version("1.8.2", sha256="252ab73e437f5fcc87268df1ac130ffe6eb41e4281d9d3a3eaa7d591a85a612f")
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version("1.8.1", sha256="2ade869c3f42f23b5263c7d594aa3c7e5e61ac6a3afcaf5d6e42899d2a7986ce")
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version("1.8", sha256="0330201afb5525d0950ec861fec9dd75eb40a03845ebe03d2c635cf8bfc14fea")
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version("1.7.1", sha256="9d3f63ce3eed62f04e4036de6f2be2ce0ff07781ca571af6e0bf85b077edf17a")
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version("1.7", sha256="2eea65624a697e74b939511cd2a686b4c957e90c99be168fe134d96771e811ad")
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version("1.6.6", sha256="7c048a48e17f7f14a475be7b83e6e941289e03debb42ce9e02a06353412f9f2a")
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version("1.6.5", sha256="5231419a8e13e7a6d286cf25d32a3aa75c443a625e5ea57024d36468bc3d5936")
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version("1.6.4", sha256="3788bf1cdb60f119f8a04ed7ed96861322e539ce2d2ea977f00431d6b2b80beb")
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version("1.6.3", sha256="afad4f75ec5959bc3b18b741f3f16864f699c8b763598d01faf6af029dded48c")
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version("1.6.2", sha256="c1ad21dee1239c9c2422b2dd2dc83e7a364909fc82ff9bd6ce7d9c73ee4569de")
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version("1.6.1", sha256="1dd81077b186300122dc8a8f1872c21fd2bd9b88286ab9f068cc7b62fa7593a7")
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version("1.6", sha256="c2a56f8cdc2ab03a6477ef98dbaa00917674fda59caa2824a1a29f78d2255ba5")
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version("1.5.2", sha256="a037b7335932921960d687ef3d49b50ee38a83e0c8ad237bc20d3f4a0523f7d3")
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version("1.5.1", sha256="9e2a400e63b6fb2d4954e53536090eb8eb6f0ca25d0f34dd3a4f166802aa3d54")
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version("1.5", sha256="c52568c5e0e8dc9d8fcf869a716d73598e52f71c3d83af5a4c0b3be81403b423")
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version("1.4.4", sha256="bf4a0fff05cf721e11cb6cdb74f3d27dd0fa67ccc024055f2d9dd5dbd928c7c0")
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version("1.4.3", sha256="5033c33038ba4a75c675387aeb7c86b629e43ffc0a40df0b78e4ed52e4b5bd90")
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version("1.4.2", sha256="9c89391635be96759486a245365793bc4593859e6d7957b37c39a29f9b4f95eb")
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version("1.4.1", sha256="c19be118694c9b4e9a61ef4205b1e1a7e0c400c07f9bce65ae430d2dc2be5fe1")
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version("1.4", sha256="cf483a370d802bd8800c06a12d14d2b4406a745c8a0b2c8722ccc992d0cd72dd")
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variant("shared", default=False, description="With shared libraries (and static libraries).")
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variant("debug", default=False, description="With call-trace (LIBXSMM_TRACE); unoptimized.")
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variant(
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"header-only", default=False, when="@1.6.2:", description="With header-only installation"
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)
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variant("generator", default=False, description="With generator executable(s)")
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variant(
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"blas",
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default="default",
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multi=False,
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description="Control behavior of BLAS calls",
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values=("default", "0", "1", "2"),
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)
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variant(
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"large_jit_buffer",
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default=False,
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when="@1.17:",
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description="Max. JIT buffer size increased to 256 KiB",
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)
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depends_on("c", type="build") # generated
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depends_on("cxx", type="build") # generated
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depends_on("fortran", type="build") # generated
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depends_on("python", type="build")
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# A recent `as` is needed to compile libxmss until version 1.17
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# (<https://github.com/spack/spack/issues/28404>), but not afterwards
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# (<https://github.com/spack/spack/pull/21671#issuecomment-779882282>).
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# depends_on("binutils+ld+gas@2.33:", type="build")
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# Version 2.0 supports both x86_64 and aarch64
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requires("target=x86_64:", "target=aarch64:")
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requires("target=x86_64:", when="@:1")
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@property
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def libs(self):
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result = find_libraries(["libxsmm", "libxsmmf"], root=self.prefix, recursive=True)
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if len(result) == 0:
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result = find_libraries(
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["libxsmm", "libxsmmf"], root=self.prefix, shared=False, recursive=True
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)
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return result
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def build(self, spec, prefix):
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# include symbols by default
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make_args = [
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"CC={0}".format(spack_cc),
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"CXX={0}".format(spack_cxx),
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"FC={0}".format(spack_fc),
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"PREFIX=%s" % prefix,
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]
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if spec.target.family == "aarch64":
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make_args += ["PLATFORM=1"]
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else:
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make_args += ["SYM=1"]
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# JIT (AVX and later) makes MNK, M, N, or K spec. superfluous
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# make_args += ['MNK=1 4 5 6 8 9 13 16 17 22 23 24 26 32']
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# include call trace as the build is already de-optimized
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if spec.satisfies("+debug"):
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make_args += ["DBG=1"]
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make_args += ["TRACE=1"]
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blas_val = spec.variants["blas"].value
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if blas_val != "default":
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make_args += ["BLAS={0}".format(blas_val)]
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if spec.satisfies("+large_jit_buffer"):
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make_args += ["CODE_BUF_MAXSIZE=262144"]
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if spec.satisfies("+shared"):
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make(*(make_args + ["STATIC=0"]))
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# builds static libraries by default
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make(*make_args)
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def install(self, spec, prefix):
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install_tree("include", prefix.include)
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# move pkg-config files to their right place
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mkdirp("lib/pkgconfig")
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for pcfile in glob("lib/*.pc"):
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os.rename(pcfile, os.path.join("lib/pkgconfig", os.path.basename(pcfile)))
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# always install libraries
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install_tree("lib", prefix.lib)
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if spec.satisfies("+header-only"):
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install_tree("src", prefix.src)
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if spec.satisfies("+generator"):
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install_tree("bin", prefix.bin)
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mkdirp(prefix.doc)
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install(join_path("documentation", "*.md"), prefix.doc)
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install(join_path("documentation", "*.pdf"), prefix.doc)
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if spec.satisfies("@1.8.2:"):
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install("LICENSE.md", prefix.doc)
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else:
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install("README.md", prefix.doc)
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install("LICENSE", prefix.doc)
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install("version.txt", prefix.doc)
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