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mirror of https://github.com/TREX-CoE/qmckl.git synced 2024-07-16 08:00:43 +02:00

Correctly ignore problematic checks for vfc_ci

Some checks in the AO test were not correctly ignored by the
preprocessor when vfc_ci support was enabled. This caused the test to
fail unexpectedly and made it impossible to get data from it in vfc_ci.
This commit is contained in:
Aurelien Delval 2021-08-30 15:59:11 +00:00
parent c32d7fb5ee
commit e75d249474

View File

@ -1768,7 +1768,6 @@ integer(c_int32_t) function test_qmckl_ao_gaussian_vgl(context) bind(C)
A(i) = 0.0013 * dble(ishft(1,i)) A(i) = 0.0013 * dble(ishft(1,i))
end do end do
test_qmckl_ao_gaussian_vgl = & test_qmckl_ao_gaussian_vgl = &
qmckl_ao_gaussian_vgl(context, X, R, n, A, VGL, ldv) qmckl_ao_gaussian_vgl(context, X, R, n, A, VGL, ldv)
@ -1787,8 +1786,9 @@ integer(c_int32_t) function test_qmckl_ao_gaussian_vgl(context) bind(C)
vfc_err = qmckl_probe_check("ao"//C_NULL_CHAR, "gaussian_vgl_2_5"//C_NULL_CHAR, & vfc_err = qmckl_probe_check("ao"//C_NULL_CHAR, "gaussian_vgl_2_5"//C_NULL_CHAR, &
DBLE(VGL(2,5)), DBLE(0), DBLE(epsilon)) DBLE(VGL(2,5)), DBLE(0), DBLE(epsilon))
#ifndef VFC_CI
if (test_qmckl_ao_gaussian_vgl /= 0) return if (test_qmckl_ao_gaussian_vgl /= 0) return
#endif
test_qmckl_ao_gaussian_vgl = -1 test_qmckl_ao_gaussian_vgl = -1
@ -1822,8 +1822,8 @@ integer(c_int32_t) function test_qmckl_ao_gaussian_vgl(context) bind(C)
#endif #endif
test_qmckl_ao_gaussian_vgl = 0 test_qmckl_ao_gaussian_vgl = 0
deallocate(VGL) deallocate(VGL)
end function test_qmckl_ao_gaussian_vgl end function test_qmckl_ao_gaussian_vgl
#+end_src #+end_src
@ -2846,7 +2846,6 @@ integer(c_int32_t) function test_qmckl_ao_power(context) bind(C)
end do end do
test_qmckl_ao_power = qmckl_ao_power(context, n, X, LMAX, P, LDP) test_qmckl_ao_power = qmckl_ao_power(context, n, X, LMAX, P, LDP)
print *, "test_qmckl_ao_power", test_qmckl_ao_power
vfc_err = qmckl_probe_check("ao"//C_NULL_CHAR, "power_2_2"//C_NULL_CHAR, & vfc_err = qmckl_probe_check("ao"//C_NULL_CHAR, "power_2_2"//C_NULL_CHAR, &
DBLE(P(2,2)), DBLE(0), DBLE(epsilon)) DBLE(P(2,2)), DBLE(0), DBLE(epsilon))
@ -3208,7 +3207,7 @@ integer(c_int32_t) function test_qmckl_ao_polynomial_vgl(context) bind(C)
if (test_qmckl_ao_polynomial_vgl /= QMCKL_SUCCESS) return if (test_qmckl_ao_polynomial_vgl /= QMCKL_SUCCESS) return
if (n /= d) return if (n /= d) return
#ifdef VFC_CI #ifndef VFC_CI
do j=1,n do j=1,n
test_qmckl_ao_polynomial_vgl = QMCKL_FAILURE test_qmckl_ao_polynomial_vgl = QMCKL_FAILURE
do i=1,3 do i=1,3