Commit 5966c313 authored by Matthias Redies's avatar Matthias Redies

update libxc

parent 8fdfcdb3
Subproject commit 3cb2231abf1d47fbd8b3e21c8478e9f26a73ce5f Subproject commit ca6f7114b9fffe0964ca9e8d24e09ef15b300316
...@@ -27,6 +27,10 @@ option_with_flags(ENABLE_XHOST "Enable processor-specific optimization" ON ...@@ -27,6 +27,10 @@ option_with_flags(ENABLE_XHOST "Enable processor-specific optimization" ON
option_with_print(ENABLE_FORTRAN "Build Fortran 90 interface" OFF) option_with_print(ENABLE_FORTRAN "Build Fortran 90 interface" OFF)
option_with_print(ENABLE_FORTRAN03 "Build Fortran 2003 interface" OFF) option_with_print(ENABLE_FORTRAN03 "Build Fortran 2003 interface" OFF)
option_with_print(DISABLE_VXC "Don't compile first derivative code" OFF)
option_with_print(DISABLE_FXC "Don't compile second derivative code" OFF)
option_with_print(DISABLE_KXC "Don't compile third derivative code" ON)
######################### Process & Validate Options ########################### ######################### Process & Validate Options ###########################
include(autocmake_safeguards) include(autocmake_safeguards)
include(custom_static_library) include(custom_static_library)
...@@ -48,6 +52,21 @@ int main() { ...@@ -48,6 +52,21 @@ int main() {
if (HAVE_CBRT) if (HAVE_CBRT)
add_definitions (-DHAVE_CBRT) add_definitions (-DHAVE_CBRT)
endif (HAVE_CBRT) endif (HAVE_CBRT)
# Turn off derivative code
if(DISABLE_VXC)
add_definitions (-DXC_DONT_COMPILE_VXC)
add_definitions (-DXC_DONT_COMPILE_FXC)
add_definitions (-DXC_DONT_COMPILE_KXC)
endif(DISABLE_VXC)
if(DISABLE_FXC)
add_definitions (-DXC_DONT_COMPILE_FXC)
add_definitions (-DXC_DONT_COMPILE_KXC)
endif(DISABLE_FXC)
if(DISABLE_KXC)
add_definitions (-DXC_DONT_COMPILE_KXC)
endif(DISABLE_KXC)
# <<< Build >>> # <<< Build >>>
# repurpose xc_version from Make for CMake # repurpose xc_version from Make for CMake
...@@ -112,6 +131,7 @@ gga_c_wi.c ...@@ -112,6 +131,7 @@ gga_c_wi.c
gga_c_wl.c gga_c_wl.c
gga_c_zpbeint.c gga_c_zpbeint.c
gga_c_zvpbeint.c gga_c_zvpbeint.c
gga_c_zvpbeloc.c
gga_k_dk.c gga_k_dk.c
gga_k_meyer.c gga_k_meyer.c
gga_k_ol1.c gga_k_ol1.c
...@@ -131,6 +151,12 @@ gga_x_ak13.c ...@@ -131,6 +151,12 @@ gga_x_ak13.c
gga_x_am05.c gga_x_am05.c
gga_x_b86.c gga_x_b86.c
gga_x_b88.c gga_x_b88.c
gga_k_llp.c
gga_k_pw86.c
gga_k_mpbe.c
gga_k_apbe.c
gga_k_apbeint.c
gga_k_lc94.c
gga_x_bayesian.c gga_x_bayesian.c
gga_x_beefvdw.c gga_x_beefvdw.c
gga_x_bpccac.c gga_x_bpccac.c
...@@ -177,6 +203,7 @@ gga_x_vmt.c ...@@ -177,6 +203,7 @@ gga_x_vmt.c
gga_x_vmt84.c gga_x_vmt84.c
gga_x_wc.c gga_x_wc.c
gga_x_wpbeh.c gga_x_wpbeh.c
gga_x_fd_lb94.c
gga_xc_1w.c gga_xc_1w.c
gga_xc_b97.c gga_xc_b97.c
gga_xc_edf1.c gga_xc_edf1.c
...@@ -198,6 +225,7 @@ hyb_gga_xc_lcy_pbe.c ...@@ -198,6 +225,7 @@ hyb_gga_xc_lcy_pbe.c
hyb_gga_xc_o3lyp.c hyb_gga_xc_o3lyp.c
hyb_gga_xc_pbeh.c hyb_gga_xc_pbeh.c
hyb_gga_xc_wb97.c hyb_gga_xc_wb97.c
hyb_lda_xc_cam_lda0.c
hyb_mgga_x_dldf.c hyb_mgga_x_dldf.c
hyb_mgga_x_m05.c hyb_mgga_x_m05.c
hyb_mgga_x_mvsh.c hyb_mgga_x_mvsh.c
...@@ -257,6 +285,7 @@ mgga_c_m08.c ...@@ -257,6 +285,7 @@ mgga_c_m08.c
mgga_c_pkzb.c mgga_c_pkzb.c
mgga_c_revscan.c mgga_c_revscan.c
mgga_c_revtpss.c mgga_c_revtpss.c
mgga_c_rscan.c
mgga_c_scan.c mgga_c_scan.c
mgga_c_tpss.c mgga_c_tpss.c
mgga_c_tpssloc.c mgga_c_tpssloc.c
...@@ -282,11 +311,13 @@ mgga_x_mvs.c ...@@ -282,11 +311,13 @@ mgga_x_mvs.c
mgga_x_mvsb.c mgga_x_mvsb.c
mgga_x_pbe_gx.c mgga_x_pbe_gx.c
mgga_x_pkzb.c mgga_x_pkzb.c
mgga_x_rscan.c
mgga_x_sa_tpss.c mgga_x_sa_tpss.c
mgga_x_scan.c mgga_x_scan.c
mgga_x_tau_hcth.c mgga_x_tau_hcth.c
mgga_x_tm.c mgga_x_tm.c
mgga_x_tpss.c mgga_x_tpss.c
mgga_x_regtpss.c
mgga_x_vt84.c mgga_x_vt84.c
mgga_x_rtpss.c mgga_x_rtpss.c
mgga_xc_b97mv.c mgga_xc_b97mv.c
...@@ -295,6 +326,7 @@ mgga_xc_hle17.c ...@@ -295,6 +326,7 @@ mgga_xc_hle17.c
mgga_xc_otpss_d.c mgga_xc_otpss_d.c
mgga_xc_zlp.c mgga_xc_zlp.c
mgga_xc_b98.c mgga_xc_b98.c
mgga_x_2d_js17.c
mix_func.c mix_func.c
references.c references.c
special_functions.c special_functions.c
......
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