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mirror of https://github.com/LCPQ/quantum_package synced 2024-06-02 11:25:26 +02:00

Fixed tests

This commit is contained in:
Anthony Scemama 2018-11-16 13:03:59 +01:00
parent 6d0396a20f
commit f789e1f2e6
2 changed files with 3 additions and 3 deletions

View File

@ -24,7 +24,7 @@ function eq() {
# | ._ o _|_
# _|_ | | | |_
#
source ${QP_ROOT}/install/EZFIO/Bash/ezfio.sh
source ${QP_EZFIO}/Bash/ezfio.sh
TEST_DIR=${QP_ROOT}/tests/work/
mkdir -p "${TEST_DIR}"

View File

@ -5,7 +5,7 @@ source $QP_ROOT/tests/bats/common.bats.sh
#=== Convert
@test "gamess convert HBO.out" {
cp ${QP_ROOT}/tests/input/HBO.out .
qp_convert_output_to_ezfio.py HBO.out
qp_convert_output_to_ezfio HBO.out
qp_edit -c HBO.out.ezfio
ezfio set_file HBO.out.ezfio
qp_run SCF HBO.out.ezfio
@ -16,7 +16,7 @@ source $QP_ROOT/tests/bats/common.bats.sh
@test "g09 convert H2O.log" {
cp ${QP_ROOT}/tests/input/h2o.log .
qp_convert_output_to_ezfio.py h2o.log
qp_convert_output_to_ezfio h2o.log
qp_edit -c h2o.log.ezfio
ezfio set_file h2o.log.ezfio
qp_run SCF h2o.log.ezfio