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| author | Miguel Dias Costa <migueldiascosta@gmail.com> | 2024-03-23 18:02:44 +0800 |
|---|---|---|
| committer | GitHub <noreply@github.com> | 2024-03-23 04:02:44 -0600 |
| commit | 8e89e614029fa389670680130a9d3cb1e57de65f (patch) | |
| tree | b007d3a3fdf04ad3b15e278c9a2a0b23285de9be | |
| parent | d0dbfaa5d664660e2ac750387e3d179f999b172f (diff) | |
| download | spack-8e89e614029fa389670680130a9d3cb1e57de65f.tar.gz spack-8e89e614029fa389670680130a9d3cb1e57de65f.tar.bz2 spack-8e89e614029fa389670680130a9d3cb1e57de65f.tar.xz spack-8e89e614029fa389670680130a9d3cb1e57de65f.zip | |
BerkeleyGW package: add version 4.0 (#43316)
| -rw-r--r-- | var/spack/repos/builtin/packages/berkeleygw/package.py | 23 |
1 files changed, 22 insertions, 1 deletions
diff --git a/var/spack/repos/builtin/packages/berkeleygw/package.py b/var/spack/repos/builtin/packages/berkeleygw/package.py index dbd1ea7fc7..4f97c5a91b 100644 --- a/var/spack/repos/builtin/packages/berkeleygw/package.py +++ b/var/spack/repos/builtin/packages/berkeleygw/package.py @@ -17,6 +17,12 @@ 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", url="https://app.box.com/shared/static/2bik75lrs85zt281ydbup2xa7i5594gy.gz", @@ -148,11 +154,20 @@ class Berkeleygw(MakefilePackage): 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 @@ class Berkeleygw(MakefilePackage): ) 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 = [] |