libint: add v2.9.0 (#44776)

Signed-off-by: Shane Nehring <snehring@iastate.edu>

1 files changed, 33 insertions, 24 deletions

diff --git a/var/spack/repos/builtin/packages/libint/package.py b/var/spack/repos/builtin/packages/libint/package.py
index 2dd4cd97a8..59f0316622 100644
--- a/var/spack/repos/builtin/packages/libint/package.py
+++ b/var/spack/repos/builtin/packages/libint/package.py
@@ -33,6 +33,7 @@ class Libint(AutotoolsPackage):
 
     license("LGPL-3.0-only")
 
+    version("2.9.0", sha256="4929b2f2d3e53479270be052e366e8c70fa154a7f309e5c2c23b7d394159687d")
     version("2.6.0", sha256="4ae47e8f0b5632c3d2a956469a7920896708e9f0e396ec10071b8181e4c8d9fa")
     version("2.4.2", sha256="86dff38065e69a3a51d15cfdc638f766044cb87e5c6682d960c14f9847e2eac3")
     version("2.4.1", sha256="0513be124563fdbbc7cd3c7043e221df1bda236a037027ba9343429a27db8ce4")
@@ -64,11 +65,16 @@ class Libint(AutotoolsPackage):
     depends_on("automake", type="build")
     depends_on("libtool", type="build")
     depends_on("python", type="build")
+    depends_on("cmake@3.19:", when="@2.6.0:", type="build")
 
     # Libint 2 dependencies
     # Fixme: Can maintainers please confirm that this is a required dependency
     depends_on(Boost.with_default_variants, when="@2:")
     depends_on("gmp+cxx", when="@2:")
+    depends_on("eigen", when="@2.7.0:")
+    # unicode variable names in @2.9.0:
+    # https://gcc.gnu.org/bugzilla/show_bug.cgi?id=67224
+    conflicts("%gcc@:9", when="@2.9.0:", msg="libint@2.9.0: requires at least gcc 10")
 
     for tvariant in TUNE_VARIANTS[1:]:
         conflicts(
@@ -98,10 +104,6 @@ class Libint(AutotoolsPackage):
             aclocal("-I", "lib/autoconf")
             autoconf()
 
-        if "@2.6.0:" in spec:
-            # skip tarball creation and removal of dir with generated code
-            filter_file(r"^(export::.*)\s+tgz$", r"\1", "export/Makefile")
-
     @property
     def optflags(self):
         flags = "-O2"
@@ -212,39 +214,46 @@ class Libint(AutotoolsPackage):
         """
 
         # upstream says that using configure/make for the generated code
-        # is deprecated and one should use CMake, but with the currently
-        # recent 2.7.0.b1 it still doesn't work
-        # first generate the libint compiler
+        # is deprecated and one should use CMake
+
+        # skip tarball creation and removal of dir with generated code
+        filter_file("&& rm -rf $(EXPORTDIR)", "", "export/Makefile", string=True)
+
         make("export")
         # now build the library
         with working_dir(os.path.join(self.build_directory, "generated")):
-            # straight from the AutotoolsPackage class:
-            config_args = [
-                "--prefix={0}".format(prefix),
-                "--enable-shared",
-                "--with-boost={0}".format(self.spec["boost"].prefix),
-                "--with-cxx-optflags={0}".format(self.optflags),
+            if spec.satisfies("@2.6.0"):
+                # see https://github.com/evaleev/libint/issues/144
+                force_remove(
+                    join_path("include", "libint2", "basis.h"),
+                    join_path("include", "libint2", "config.h"),
+                )
+            cmake_args = [
+                "..",
+                f"-DCMAKE_INSTALL_PREFIX={prefix}",
+                "-DLIBINT2_BUILD_SHARED_AND_STATIC_LIBS=ON",
             ]
-            config_args += self.enable_or_disable("debug", activation_value=lambda x: "opt")
-            config_args += self.enable_or_disable("fortran")
-
-            configure = Executable("./configure")
-            configure(*config_args)
-            make()
+            if "+fortran" in spec:
+                cmake_args.append("-DENABLE_FORTRAN=ON")
+            if "+debug" in spec:
+                cmake_args.append("CMAKE_BUILD_TYPE=Debug")
+            cmake = Executable("cmake")
+            mkdirp("build")
+            with working_dir("build"):
+                cmake(*cmake_args)
+                make()
 
     @when("@2.6.0:")
     def check(self):
-        with working_dir(os.path.join(self.build_directory, "generated")):
+        with working_dir(os.path.join(self.build_directory, "generated", "build")):
             make("check")
 
     @when("@2.6.0:")
     def install(self, spec, prefix):
-        with working_dir(os.path.join(self.build_directory, "generated")):
+        with working_dir(os.path.join(self.build_directory, "generated", "build")):
             make("install")
-            if "+fortran" in self.spec:
-                mkdirp(prefix.include)
-                install(join_path("fortran", "*.mod"), prefix.include)
 
+    @when("@:2.6.0")
     def patch(self):
         # Use Fortran compiler to link the Fortran example, not the C++
         # compiler