Itensor: Add new package (#20689)

1 files changed, 132 insertions, 0 deletions

diff --git a/var/spack/repos/builtin/packages/itensor/package.py b/var/spack/repos/builtin/packages/itensor/package.py
new file mode 100644
index 0000000000..8f6157a11b
--- /dev/null
+++ b/var/spack/repos/builtin/packages/itensor/package.py
@@ -0,0 +1,132 @@
+# Copyright 2013-2021 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)
+
+from spack import *
+import os
+
+
+class Itensor(MakefilePackage):
+    """ITensor -Intelligent Tensor- is a library for
+    implementing tensor network calculations."""
+
+    homepage = "https://itensor.org/index.html"
+    url      = "https://github.com/ITensor/ITensor/archive/v3.1.6.tar.gz"
+
+    version('3.1.6', sha256='1c42cd39c45124063d9812b851b4d99735caff7ac2da971b4287c2018d4cf32a')
+    version('3.1.5', sha256='a0661efdda3bfc4fab1796243d4b438b0f17adce08b6bb21a2aaae9766b6a1ec')
+    version('3.1.4', sha256='bdcfa786f5165b6f5d1a40a80e7ecca2e59e2ee7050fd60f42ef4a4a55a793c5')
+    version('3.1.3', sha256='ff6b04f9c642c6795acd3485f44619282a2dde7a49a4e0dee89b47b69dc3853e')
+    version('3.1.2', sha256='3e0f032c211e11be1b5a4adf4a581698a949d03b35c0e9b2e3d9f4bab6dd7967')
+    version('3.1.1', sha256='3c12d288e50522b5bd152f956a48ec187486cfeb4ccb1ea9a05d3f0bf3bf8059')
+    version('3.1.0', sha256='b887cb9c7fc06f60d9d6834380b643adea8d165d574ab1859883f399725b9db9')
+    version('3.0.1', sha256='5e2ac3a5b62fb3e34f1e520e6da911b56659507fb4143118d4a602a5866bc912')
+    version('3.0.0', sha256='1d249a3a6442188a9f7829b32238c1025457c2930566d134a785994b1f7c54a9')
+    version('2.1.1', sha256='b91a67af66ed0fa7678494f3895b5d5ae7f1dc1026540689f9625f515cb7791c')
+
+    variant('openmp', default=False, description='Enable OpenMP support.')
+    variant('hdf5', default=False, description='Build rockstar with HDF5 support.')
+
+    depends_on('lapack')
+    depends_on('hdf5+hl', when='+hdf5')
+
+    conflicts('^openblas threads=none', when='+openmp')
+    conflicts('^openblas threads=pthreads', when='+openmp')
+
+    def getcopts(self, spec):
+        copts = []
+        copts.append(self.compiler.cxx17_flag)
+        copts.append(self.compiler.cc_pic_flag)
+
+        if spec.satisfies('%gcc'):
+            if not spec.satisfies('arch=aarch64:'):
+                copts.append('-m64')
+            copts.append('-fconcepts')
+        if spec.satisfies('%clang') or spec.satisfies('%fj'):
+            copts.append('-Wno-gcc-compat')
+        return ' ' + ' '.join(copts)
+
+    def edit(self, spec, prefix):
+        # 0.copy options.mk
+        mf = 'options.mk'
+        copy('options.mk.sample', mf)
+
+        # 1.CCCOM
+        ccopts = 'CCCOM={0}{1}'.format(spack_cxx, self.getcopts(spec))
+        filter_file(r'^CCCOM.+', ccopts, mf)
+
+        # 2.BLAS/LAPACK
+        # Set default values
+        vpla = 'PLATFORM=lapack'
+        vlib = 'BLAS_LAPACK_LIBFLAGS='
+        vlib += spec['lapack'].libs.ld_flags
+        vinc = 'BLAS_LAPACK_INCLUDEFLAGS=-I'
+        vinc += spec['lapack'].prefix.include
+        ltype = spec['lapack'].name
+        # lapack specific
+        if ltype == 'openblas':
+            vpla = 'PLATFORM=openblas'
+            if spec.satisfies('%gcc'):
+                vinc += ' -fpermissive'
+            vinc += ' -DHAVE_LAPACK_CONFIG_H'
+            vinc += ' -DLAPACK_COMPLEX_STRUCTURE'
+            filter_file('#PLATFORM=lapack', vinc, mf, String=True)
+        elif ltype == 'intel-mkl':
+            vpla = 'PLATFORM=mkl'
+            filter_file('#PLATFORM=lapack', vinc, mf, String=True)
+
+        filter_file(r'^PLATFORM.+', vpla, mf)
+        filter_file(r'^BLAS_LAPACK_LIBFLAGS.+', vlib, mf)
+
+        # 3.HDF5
+        if '+hdf5' in spec:
+            hdf5p = 'HDF5_PREFIX={0}'.format(spec["hdf5"].prefix.lib)
+            filter_file('^#HDF5.+', hdf5p, mf)
+
+        # 4.openmp
+        if '+openmp' in spec:
+            filter_file('#ITENSOR_USE_OMP', 'ITENSOR_USE_OMP', mf)
+            filter_file('-fopenmp', self.compiler.openmp_flag, mf)
+
+        # 5.prefix
+        filter_file(
+            r'^PREFIX.+',
+            'PREFIX={0}'.format(os.getcwd()),
+            mf
+        )
+
+    def install(self, spec, prefix):
+        # 0.backup options.mk
+        mf = 'options.mk'
+        copy(mf, 'options.mk.build')
+
+        # 1.CCCOM
+        ccopts = 'CCCOM={0}'.format(self.compiler.cxx)
+        ccopts += ' ' + ' '.join(spec.compiler_flags['cxxflags'])
+        if spec.satisfies('%fj'):
+            ccopts += ' ' + env["FCC_ENV"]
+        ccopts += self.getcopts(spec)
+        filter_file(r'^CCCOM.+', ccopts, mf)
+
+        # 2.LDFLAGS
+        vlib = 'BLAS_LAPACK_LIBFLAGS={0} '.format(' '.join(
+            spec.compiler_flags['ldflags'] + spec.compiler_flags['ldlibs']))
+        filter_file(r'^BLAS_LAPACK_LIBFLAGS=', vlib, mf)
+
+        # 3.prefix
+        filter_file(
+            r'^PREFIX.+',
+            'PREFIX={0}'.format(prefix),
+            mf
+        )
+
+        # tutorial/project_template/Makefile
+        mf2 = join_path('tutorial', 'project_template', 'Makefile')
+        filter_file(
+            r'^LIBRARY_DIR.+',
+            'LIBRARY_DIR={0}'.format(prefix),
+            mf2
+        )
+
+        install_tree('.', prefix)