BerkeleyGW package: add version 4.0 (#43316)

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

@@ -16,6 +16,12 @@ class Berkeleygw(MakefilePackage):
 
     maintainers("migueldiascosta")
 
+    version(
+        "4.0",
+        sha256="1a85b03b83b339056f65124bfa96832ca61152236d9bb1cb372e3040fc686a49",
+        url="https://app.box.com/shared/static/22edl07muvhfnd900tnctsjjftbtcqc4.gz",
+        expand=False,
+    )
     version(
         "3.1.0",
         sha256="7e890a5faa5a6bb601aa665c73903b3af30df7bdd13ee09362b69793bbefa6d2",
@@ -147,12 +153,21 @@ def edit(self, spec, prefix):
         if self.version >= Version("3.0"):
             si_epm_tests.append("Si_hdf5")
         for test in si_epm_tests:
+            filter_file(
+                "Precision : 5e-12",
+                "Precision : 6e-12",
+                join_path("testsuite", "Si-EPM", test + ".test"),
+            )
             filter_file(
                 "Precision : 6e-15",
                 "Precision : 7e-15",
                 join_path("testsuite", "Si-EPM", test + ".test"),
             )
-        for test in ["Si_subspace", "Si_subspace_cplx", "Si_subspace_cplx_spin"]:
+
+        si_epm_subspace_tests = ["Si_subspace", "Si_subspace_cplx_spin"]
+        if self.version < Version("4.0"):
+            si_epm_subspace_tests.append("Si_subspace_cplx")
+        for test in si_epm_subspace_tests:
             filter_file(
                 "Precision : 6e-15",
                 "Precision : 7e-15",
@@ -160,6 +175,12 @@ def edit(self, spec, prefix):
             )
         filter_file("Precision : 8e-15", "Precision : 9e-15", "testsuite/GaAs-EPM/GaAs.test")
 
+        if self.version < Version("3.1.0"):
+            # np.int alias was removed from numpy
+            filter_file(
+                r"astype\(np.int\)", "astype(int)", "testsuite/Si2-SAPO/analyze_dotproduct.py"
+            )
+
     def build(self, spec, prefix):
         buildopts = []
         paraflags = []