py-pyfr: Add v1.14.0, add LIBXSMM variant (#30612)

* Update PyFR, Gimmik versions. Add PyFR LIBXSMM variant

* Fixes

* Changes to variants

* Update py-gimmik version requirement in py-pyfr

* Revert "Update py-gimmik version requirement in py-pyfr"

This reverts commit 3b3fde3042.

* Update libxsmm conflicts

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

@@ -60,12 +60,15 @@ class Libxsmm(MakefilePackage):
             description='With shared libraries (and static libraries).')
     variant('debug', default=False,
             description='With call-trace (LIBXSMM_TRACE); unoptimized.')
-    variant('header-only', default=False,
+    variant('header-only', default=False, when='@1.6.2:',
             description='With header-only installation')
     variant('generator', default=False,
             description='With generator executable(s)')
-    conflicts('+header-only', when='@:1.6.2',
+    variant('blas', default='default', multi=False,
-              msg='Header-only is available since v1.6.2!')
+            description='Control behavior of BLAS calls',
+            values=('default', '0', '1', '2'))
+    variant('large_jit_buffer', default=False, when='@1.17:',
+            description='Max. JIT buffer size increased to 256 KiB')
     depends_on('python', type='build')
 
     @property
@@ -95,6 +98,13 @@ def build(self, spec, prefix):
             make_args += ['DBG=1']
             make_args += ['TRACE=1']
 
+        blas_val = spec.variants['blas'].value
+        if blas_val != 'default':
+            make_args += ['BLAS={0}'.format(blas_val)]
+
+        if '+large_jit_buffer' in spec:
+            make_args += ['CODE_BUF_MAXSIZE=262144']
+
         if '+shared' in spec:
             make(*(make_args + ['STATIC=0']))
 

var/spack/repos/builtin/packages/py-gimmik/package.py

@@ -15,8 +15,11 @@ class PyGimmik(PythonPackage):
     homepage = "https://github.com/PyFR/GiMMiK"
     pypi = "gimmik/gimmik-2.2.tar.gz"
 
-    maintainers = ["michaellaufer"]
+    maintainers = ["MichaelLaufer"]
 
+    version(
+        "2.3", sha256="c019c85316bcf0d5e84de9b7d10127355dfe8037c0e37f1880a9819ce92b74e1"
+    )
     version(
         "2.2", sha256="9144640f94aab92f9c5dfcaf16885a79428ab97337cf503a4b2dddeb870f3cf0"
     )

var/spack/repos/builtin/packages/py-pyfr/package.py

@@ -15,13 +15,17 @@ class PyPyfr(PythonPackage):
     homepage = "http://www.pyfr.org/"
     pypi = "pyfr/pyfr-1.13.0.tar.gz"
     git = "https://github.com/PyFR/PyFR/"
-    maintainers = ["michaellaufer"]
+    maintainers = ["MichaelLaufer"]
 
     # git branches
     version("develop", branch="develop")
     version("master", branch="master")
 
     # pypi releases
+    version(
+        "1.14.0",
+        sha256="ebf40ce0896cce9ac802e03fd9430b5be30ea837c31224531a6d5fd68f820766",
+    )
     version(
         "1.13.0",
         sha256="ac6ecec738d4e23799ab8c50dea9bdbd7d37bc971bd33f22720c5a230b8e7b2f",
@@ -31,21 +35,24 @@ class PyPyfr(PythonPackage):
     variant("scotch", default=False, description="Scotch for mesh partitioning")
     variant("cuda", default=False, description="CUDA backend support")
     variant("hip", default=False, description="HIP backend support")
+    variant("libxsmm", default=True, description="LIBXSMM for OpenMP backend")
+    variant("scipy", default=True, description="Scipy acceleration for point sampling")
 
     # Required dependencies
     depends_on("python@3.9:", type=("build", "run"))
     depends_on("py-setuptools", type="build")
     depends_on("py-gimmik@2.2:2", type=('build', 'run'))
+    depends_on("py-gimmik@2.3:2", when='@1.14.0:', type=('build', 'run'))
     depends_on("py-h5py@2.10:", type=('build', 'run'))
     depends_on("py-mako@1.0.0:", type=('build', 'run'))
     depends_on("py-mpi4py@3.1.0:", type=('build', 'run'))
     depends_on("py-numpy@1.20:+blas", type=('build', 'run'))
     depends_on("py-platformdirs@2.2.0:", type=('build', 'run'))
     depends_on("py-pytools@2016.2.1:", type=('build', 'run'))
-    depends_on("py-scipy", type=('build', 'run'))
 
-    # Optional  dependecies
+    # Optional dependencies
-    depends_on("metis@5.0:", when="+metis", type=('run'))
+    depends_on("py-scipy", when="+scipy", type=('build', 'run'))
     depends_on("scotch@6.0:", when="+scotch", type=('run'))
     depends_on("cuda@8.0:", when="+cuda", type=('run'))
     depends_on("rocblas@4.5.0:", when="+hip", type=('run'))
+    depends_on("libxsmm@1.18:+shared blas=0 +large_jit_buffer", when="+libxsmm", type=('run'))