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Test GCC version fixed

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This commit is contained in:
Anthony Scemama 2016-01-05 01:10:24 +01:00
parent b72c8a03f6
commit cb896093da
2 changed files with 11 additions and 13 deletions
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13
install/scripts/install_ocaml.sh
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@ -23,23 +23,14 @@ check_version()
i=$(gcc -dumpversion) i=$(gcc -dumpversion)
if check_version i 4.6 check_version i 4.6
if [[ $? -ne 0 ]]
then then
echo "GCC version $(gcc -dumpversion) too old. GCC >= 4.6 required." echo "GCC version $(gcc -dumpversion) too old. GCC >= 4.6 required."
exit 1 exit 1
fi fi
if [[ i -eq 4 ]]
then
i=$(gcc -dumpversion | cut -d '.' -f 2)
if [[ i -lt 6 ]]
then
echo "GCC version $(gcc -dumpversion) too old. GCC >= 4.6 required."
exit 1
fi
fi
if [[ -d ${HOME}/.opam ]] if [[ -d ${HOME}/.opam ]]
then then
source ${HOME}/.opam/opam-init/init.sh > /dev/null 2> /dev/null || true source ${HOME}/.opam/opam-init/init.sh > /dev/null 2> /dev/null || true

11
test/bats/qp.bats
View File

@ -64,7 +64,7 @@ function run_HF() {
} }
function run_FCI() { function run_FCI() {
thresh=1.e-6 thresh=1.e-5
test_exe full_ci || skip test_exe full_ci || skip
ezfio set_file $1 ezfio set_file $1
ezfio set perturbation do_pt2_end True ezfio set perturbation do_pt2_end True
@ -90,7 +90,7 @@ function run_FCI() {
@test "FCI HBO STO-3G" { @test "FCI HBO STO-3G" {
run "SCF HBO STO-3G" run "SCF HBO STO-3G"
run_FCI hbo.ezfio -98.9658958804949 -98.9662931973293 run_FCI hbo.ezfio -98.965287146032395 -98.966244481929749
} }
@ -178,3 +178,10 @@ function run_FCI() {
} }
# TODO N_int = 1,2,3,4,5
# TODO mod(64) MOs
# TODO All G2 SCF energies
# TODO Long and short tests