LCPQ/quantum_package
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Install bats

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This commit is contained in:
TApplencourt 2015-10-28 14:46:19 +01:00
parent 3f2ac415c6
commit e09b749892
3 changed files with 13 additions and 5 deletions
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4
.travis.yml
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@ -27,7 +27,7 @@ python:
script: script:
- ./configure --production ./config/gfortran.cfg - ./configure --production ./config/gfortran.cfg
- source ./quantum_package.rc - source ./quantum_package.rc
- qp_module.py install Full_CI Hartree_Fock - qp_module.py install Full_CI Hartree_Fock CAS_SD MRCC_CASSD
- ninja - ninja
- cd ocaml ; make ; cd - - cd ocaml ; make ; cd -
- cd testing_no_regression ; ./unit_test.py - cd test ; bats bats/qp.bats

10
configure vendored
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@ -65,7 +65,8 @@ d_dependency = {
"python": [], "python": [],
"ninja": ["gcc", "python"], "ninja": ["gcc", "python"],
"make": [], "make": [],
"p_graphviz": ["python"] "p_graphviz": ["python"],
"bats": []
} }
from collections import namedtuple from collections import namedtuple
@ -135,10 +136,15 @@ p_graphviz = Info(
description=' Python library for graphviz', description=' Python library for graphviz',
default_path=join(QP_ROOT_INSTALL, "p_graphviz")) default_path=join(QP_ROOT_INSTALL, "p_graphviz"))
bats = Info(
url='https://github.com/sstephenson/bats/archive/master.tar.gz',
description=' Bash Automated Testing System',
default_path=join(QP_ROOT_INSTALL, "bats"))
d_info = dict() d_info = dict()
for m in ["ocaml", "m4", "curl", "zlib", "path", "irpf90", "docopt", for m in ["ocaml", "m4", "curl", "zlib", "path", "irpf90", "docopt",
"resultsFile", "ninja", "emsl", "ezfio", "p_graphviz"]: "resultsFile", "ninja", "emsl", "ezfio", "p_graphviz",'bats']:
exec ("d_info['{0}']={0}".format(m)) exec ("d_info['{0}']={0}".format(m))

4
test/bats/qp.bats
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@ -9,9 +9,11 @@ function eq() {
awk -v n1=${1#-} -v n2=${2#-} -v p=$3 'BEGIN{ if ((n1-n2)^2 < p^2) exit 0; exit 1}' awk -v n1=${1#-} -v n2=${2#-} -v p=$3 'BEGIN{ if ((n1-n2)^2 < p^2) exit 0; exit 1}'
} }
source ${QP_ROOT}/install/EZFIO/Bash/ezfio.sh #: "${QP_ROOT?Pls set your quantum_package.rc}"
source ${QP_ROOT}/install/EZFIO/Bash/ezfio.sh
TEST_DIR=${QP_ROOT}/test/work/ TEST_DIR=${QP_ROOT}/test/work/
mkdir -p ${TEST_DIR}
cd ${TEST_DIR} cd ${TEST_DIR}
@test "init HBO STO-3G" { @test "init HBO STO-3G" {