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cpmd: convert to new stand-alone test process (#35744)

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Tamara Dahlgren 2023-08-09 06:59:51 -07:00 committed by GitHub
parent 175a65dfba
commit 5e630174a1
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GPG Key ID: 4AEE18F83AFDEB23
1 changed files with 6 additions and 2 deletions
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8
var/spack/repos/builtin/packages/cpmd/package.py
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@ -36,6 +36,7 @@ def edit(self, spec, prefix):
else: else:
fc = spack_fc fc = spack_fc
cc = spack_cc cc = spack_cc
cp.filter(r"FFLAGS='([^']*)'", "FFLAGS='\\1 -fallow-argument-mismatch'")
cp.filter("FC=.+", "FC='{0}'".format(fc)) cp.filter("FC=.+", "FC='{0}'".format(fc))
cp.filter("CC=.+", "CC='{0}'".format(cc)) cp.filter("CC=.+", "CC='{0}'".format(cc))
@ -71,7 +72,7 @@ def edit(self, spec, prefix):
def install(self, spec, prefix): def install(self, spec, prefix):
install_tree(".", prefix) install_tree(".", prefix)
def test(self): def test_cpmd(self):
test_dir = self.test_suite.current_test_data_dir test_dir = self.test_suite.current_test_data_dir
test_file = join_path(test_dir, "1-h2o-pbc-geoopt.inp") test_file = join_path(test_dir, "1-h2o-pbc-geoopt.inp")
opts = [] opts = []
@ -83,9 +84,12 @@ def test(self):
exe_name = "cpmd.x" exe_name = "cpmd.x"
opts.append(test_file) opts.append(test_file)
opts.append(test_dir) opts.append(test_dir)
cpmd = which(exe_name)
out = cpmd(*opts, output=str.split, error=str.split)
expected = [ expected = [
"2 1 H O 1.84444 0.97604", "2 1 H O 1.84444 0.97604",
"3 1 H O 1.84444 0.97604", "3 1 H O 1.84444 0.97604",
"2 1 3 H O H 103.8663", "2 1 3 H O H 103.8663",
] ]
self.run_test(exe_name, options=opts, expected=expected) check_outputs(expected, out)