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Renamed test in tests

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This commit is contained in:
Anthony Scemama 2016-01-14 17:12:37 +01:00
parent 391c7b3362
commit c2ae5bf131
1 changed files with 4 additions and 4 deletions
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8
tests/bats/qp.bats
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@ -22,7 +22,7 @@ function eq() {
#: "${QP_ROOT?Please source your quantum_package.rc}" #: "${QP_ROOT?Please source your quantum_package.rc}"
source ${QP_ROOT}/install/EZFIO/Bash/ezfio.sh source ${QP_ROOT}/install/EZFIO/Bash/ezfio.sh
TEST_DIR=${QP_ROOT}/test/work/ TEST_DIR=${QP_ROOT}/tests/work/
mkdir -p "${TEST_DIR}" mkdir -p "${TEST_DIR}"
@ -34,7 +34,7 @@ function debug() {
} }
function run_init() { function run_init() {
cp "${QP_ROOT}/test/input/$1" . cp "${QP_ROOT}/tests/input/$1" .
qp_create_ezfio_from_xyz $1 -o $3 $2 qp_create_ezfio_from_xyz $1 -o $3 $2
qp_edit -c $3 qp_edit -c $3
} }
@ -148,7 +148,7 @@ function run_FCI() {
@test "gamess convert HBO.out" { @test "gamess convert HBO.out" {
cp ${QP_ROOT}/test/input/HBO.out . cp ${QP_ROOT}/tests/input/HBO.out .
qp_convert_output_to_ezfio.py HBO.out qp_convert_output_to_ezfio.py HBO.out
ezfio set_file HBO.out.ezfio ezfio set_file HBO.out.ezfio
qp_run SCF HBO.out.ezfio qp_run SCF HBO.out.ezfio
@ -158,7 +158,7 @@ function run_FCI() {
} }
@test "g09 convert H2O.log" { @test "g09 convert H2O.log" {
cp ${QP_ROOT}/test/input/h2o.log . cp ${QP_ROOT}/tests/input/h2o.log .
qp_convert_output_to_ezfio.py h2o.log qp_convert_output_to_ezfio.py h2o.log
ezfio set_file h2o.log.ezfio ezfio set_file h2o.log.ezfio
qp_run SCF h2o.log.ezfio qp_run SCF h2o.log.ezfio