Adding Flamemaster product (#31126)

* Adding Flamemaster product

About FlameMaster: Flamemaster is an open source C++ program package for 0D
combustion and 1D laminar flame calculations.

* Addressed review comments and style tests errors

* Addressed style tests errors

* Incorporated spack style of coding

* Fixed following spack style error

[E228] missing whitespace around modulo operator

* Update package.py

addressing style issues

* Update package.py

* Changes to maintainers entry

var/spack/repos/builtin/packages/flamemaster/package.py

@@ -0,0 +1,281 @@
+# 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)
+
+import os
+from os.path import join as pjoin
+
+from spack.package import *
+
+
+class Flamemaster(CMakePackage):
+    """
+    FlameMaster is an open source C++ program package for 0D combustion
+    and 1D laminar flame calculations. FlameMaster is written by Heinz Pitsch.
+    """
+
+    homepage = "https://www.itv.rwth-aachen.de/downloads/flamemaster/"
+    url      = "file://{0}/flamemaster-4.3.1.tar.gz".format(os.getcwd())
+    manual_download = True
+
+    maintainers = ['amd-toolchain-support']
+
+    version('4.3.1', sha256='8ff382f098e44a7978fe1bcc688272d65f0b374487af4523d94cca983dc57378')
+
+    variant(
+        'build_type',
+        default='Release',
+        description='The build type to build',
+        values=('None', 'Debug', 'Release', 'RelWithDebInfo', 'MinSizeRel'))
+    variant(
+        'bilin_omega',
+        default=True,
+        description='Compile with bilinear interpolation'
+        'for collision integrals (omega)')
+    variant(
+        'combustion',
+        default=False,
+        description='Integrate comustion libraries'
+        'for kinetics, thermodynamics, and transport')
+    variant(
+        'fortran_code',
+        default=False,
+        description='Compile optional fortran code like dassl, the adiabatic'
+        'flame temperature module, and a mechanism converter tool')
+    variant(
+        'scanmannew',
+        default=False,
+        description='Compile the new ScanMan')
+    variant(
+        'dco_chunk_tape',
+        default=False,
+        description='Dynamically allocate memory for the dco tape')
+    variant(
+        'troe',
+        default=False,
+        description='FlameMaster mechanism format allows for specifying'
+        'an additional parameter. This option disables the use of the'
+        'paramter which is currently required to run adjoint sensitivity analysis.')
+    variant(
+        'jl_debug',
+        default=False,
+        description='Debug mode during development(Johannes Lotz)')
+    variant(
+        'flux_bc',
+        default=False,
+        description='Specify boundary conditions as velocity [m/s]'
+        'or massflux in Counterflow (Physical Coord.)')
+    variant(
+        'full_diffusion',
+        default=False,
+        description='Compile with multi-component diffusion')
+    variant(
+        'intel_prof',
+        default=False,
+        description='Enable -prof-gen and -prof-use')
+    variant(
+        'soot_lib',
+        default=False,
+        description='Soot library with moment equation solving')
+    variant(
+        'newton_perf',
+        default=False,
+        description='Compile with time measurement of each Newton step')
+    variant(
+        'optima',
+        default=False,
+        description='Include code for Optima++ features')
+    variant(
+        'opt_reaction_rates',
+        default=True,
+        description='Fast computation of reaction rates.')
+    variant(
+        'prem_upwind_convec',
+        default=True,
+        description='Use upwind scheme for the convective term.')
+    variant(
+        'sundials_hint',
+        default=False,
+        description='No hints on how FlameMaster can install sundials.')
+    variant(
+        'simd_kinetics',
+        default=False,
+        description='WITH SIMD_KINETICS')
+    variant(
+        'solve_mom_log',
+        default=False,
+        description='Solve the soot Moments equation with logarithms')
+    variant(
+        'solve_with_z',
+        default=True,
+        description='Counter flow diffusion flame implementation includes'
+        'a solution of the mixture fraction equation')
+    variant(
+        'sundials_lapack',
+        default=False,
+        description='Link LAPACK in sundials')
+    variant(
+        'sundials_no_idas_search',
+        default=False,
+        description='Do not search for IDAS (part of sundials).')
+    variant(
+        'sundials_use_static_lib',
+        default=True,
+        description='Use static linking for sundials libraries')
+    variant(
+        'sundials_diagnos',
+        default=False,
+        description='Only for troubleshooting')
+    variant(
+        'tests',
+        default=False,
+        description='Install google-test framework for unit tests'
+        'and enable units tests.')
+    variant(
+        'third_party_in_build_dir',
+        default=True,
+        description='Compile third party libraries and tools in build diretory')
+    variant(
+        'local_lewis',
+        default=False,
+        description='Write Lewis numbers at every grid point')
+    variant(
+        'flamemaster_prefix',
+        default=True,
+        description='Used to modify the installation directories')
+    variant(
+        'openmp',
+        default=True,
+        description='Build with OpenMP')
+    variant(
+        'eigen',
+        default=False,
+        description='Build with Eigen Integration')
+    variant(
+        'eglib',
+        default=False,
+        description='Build with EG lib')
+    variant(
+        'sundials',
+        default=True,
+        description='with sundials')
+
+    depends_on('blas')
+    depends_on('lapack')
+    depends_on('cmake@3.12', type='build')
+    depends_on('bison')
+    depends_on('flex')
+
+    root_cmakelists_dir = 'Repository'
+
+    def setup_build_environment(self, env):
+        env.set('LAPACK_HOME', self.spec['lapack'].prefix)
+        env.set('BLIS_HOME', self.spec['blas'].prefix)
+
+        if self.spec.satisfies('%aocc'):
+            env.append_flags(
+                'LDFLAGS',
+                '-L{0} -lalm -lm -lstdc++'.format(
+                    pjoin(os.path.dirname(os.path.dirname(self.compiler.cxx)), "lib")))
+
+    def cmake_args(self):
+        spec = self.spec
+
+        args = [
+            '-DCMAKE_C_COMPILER=%s' % spack_cc,
+            '-DCMAKE_CXX_COMPILER=%s' % spack_cxx,
+        ]
+
+        if spec.variants['build_type'].value == 'Release':
+            cxx_flags_release = []
+            c_flags_release = []
+            fortran_flags_release = []
+            if self.spec.satisfies('%aocc') or self.spec.satisfies('%gcc'):
+                cxx_flags_release.extend(['-Ofast', '-ffast-math'])
+                c_flags_release.extend(['-Ofast', '-ffast-math'])
+                fortran_flags_release.extend(['-Ofast'])
+            args.extend([
+                self.define('CMAKE_CXX_FLAGS_RELEASE', ' '.join(cxx_flags_release)),
+                self.define('CMAKE_C_FLAGS_RELEASE', ' '.join(c_flags_release)),
+                self.define('CMAKE_Fortran_FLAGS_RELEASE', ' '.join(
+                    fortran_flags_release)),
+            ])
+            if self.spec.satisfies('%icc'):
+                cxxflags = "-Ofast -ffast-math -DNDEBUG -march=native\
+                        -mtune=native -funroll-all-loops\
+                        -qopt-multi-version-aggressive -ipo -parallel"
+                cflags = "-Ofast -ffast-math -DNDEBUG -march=native\
+                        -mtune=native -funroll-all-loops -ipo -parallel"
+                fcflags = "-Ofast -march=native -mtune=native -ipo -parallel"
+                args.extend([
+                    '-DCMAKE_CXX_FLAGS_RELEASE=%s' % cxxflags,
+                    '-DCMAKE_C_FLAGS_RELEASE=%s' % cflags,
+                    '-DCMAKE_Fortran_FLAGS_RELEASE=%s' % fcflags,
+                ])
+
+        if self.spec.satisfies('%aocc'):
+            OpenMP_CXX_FLAGS = "-fopenmp=libomp"
+            clang = self.compiler.cc
+            clang_bin = os.path.dirname(clang)
+            clang_root = os.path.dirname(clang_bin)
+            args.extend([
+                '-DOpenMP_CXX_FLAGS=%s' % OpenMP_CXX_FLAGS,
+                '-DOpenMP_C_FLAGS=%s' % OpenMP_CXX_FLAGS,
+                '-DOpenMP_C_LIB_NAMES=libomp',
+                '-DOpenMP_CXX_LIB_NAMES=libomp',
+                '-DOpenMP_libomp_LIBRARY={0}/lib/libomp.so'.format(clang_root)
+            ])
+
+        args.append(self.define_from_variant('BILIN_OMEGA', 'bilin_omega'))
+        args.append(self.define_from_variant('COMBUSTION_LIBS', 'combustion'))
+        args.append(self.define_from_variant('COMPILE_FORTRAN_SRC', 'fortran_code'))
+        args.append(self.define_from_variant('COMPILE_SCANMANNEW', 'scanmannew'))
+        args.append(self.define_from_variant('DCO_CHUNK_TAPE', 'dco_chunk_tape'))
+        args.append(self.define_from_variant('CHEMKIN_TROE', 'troe'))
+        args.append(self.define_from_variant('JL_DEBUG', 'jl_debug'))
+        args.append(self.define_from_variant('FLUX_BC_COUNTERFLOW', 'flux_bc'))
+        args.append(self.define_from_variant('FULL_DIFFUSION', 'full_diffusion'))
+        args.append(self.define_from_variant('ITV_SOOT_LIB', 'soot_lib'))
+        args.append(self.define_from_variant('NEWTON_PERFORMANCE', 'newton_perf'))
+        args.append(self.define_from_variant('OPTIMAPP', 'optima'))
+        args.append(self.define_from_variant(
+            'OPT_REACTION_RATES', 'opt_reaction_rates'))
+        args.append(self.define_from_variant(
+            'PREM_UPWIND_CONVEC', 'prem_upwind_convec'))
+        args.append(self.define_from_variant('SILENCE_SUNDIALS_HINT', 'sundials_hint'))
+        args.append(self.define_from_variant('SIMD_KINETICS', 'simd_kinetics'))
+        args.append(self.define_from_variant('SOLVE_MOM_LOG', 'solve_mom_log'))
+        args.append(self.define_from_variant('SOLVE_WITH_Z', 'solve_with_z'))
+        args.append(self.define_from_variant('SUNDIALS_LAPACK', 'sundials_lapack'))
+        args.append(self.define_from_variant(
+            'SUNDIALS_NO_IDAS_SEARCH', 'sundials_no_idas_search'))
+        args.append(self.define_from_variant(
+            'SUNDIALS_USE_STATIC_LIBRARIES', 'sundials_use_static_lib'))
+        args.append(self.define_from_variant('TESTS', 'tests'))
+        args.append(self.define_from_variant(
+            'THIRD_PARTY_IN_BUILD_DIR', 'third_party_in_build_dir'))
+        args.append(self.define_from_variant('WRITE_LOCAL_LEWIS', 'local_lewis'))
+        args.append(self.define_from_variant(
+            'USE_FLAMEMASTER_PREFIX', 'flamemaster_prefix'))
+        args.append(self.define_from_variant('WITH_EG', 'eglib'))
+        args.append(self.define_from_variant('INSTALL_SUNDIALS', 'sundials'))
+        args.append("-DINTEL_PROF_GEN:BOOL=%s" % (
+            'ON' if '+intel_prof' in spec else 'OFF'))
+        args.append("-DINTEL_PROF_USE:BOOL=%s" % (
+            'ON' if '+intel_prof' in spec else 'OFF'))
+        args.append("-DSUNDI_DIAGNOS_SEARCH_HEADER_FILES:BOOL=%s" % (
+            'ON' if '+sundials_diagnos' in spec else 'OFF'))
+        args.append("-DSUNDI_DIAGNOS_SEARCH_LIB_FILES:BOOL=%s" % (
+            'ON' if '+sundials_diagnos' in spec else 'OFF'))
+        args.append("-DEIGEN_INTEGRATION:BOOL=%s" % (
+            'ON' if '+eigen' in spec else 'OFF'))
+        args.append("-DINSTALL_EIGEN:BOOL=%s" % (
+            'ON' if '+eigen' in spec else 'OFF'))
+
+        if '^amdlibflame' in spec:
+            args.append('-DBLA_VENDOR=FLAME')
+
+        args.append('-DFLAMEMASTER_INSTALL_PREFIX:PATH={0}'.format(spec.prefix))
+
+        return args