From 810f0b2ee3a878eb41f138414f5d4997924bf521 Mon Sep 17 00:00:00 2001 From: Christopher Hillenbrand Date: Wed, 13 Mar 2024 18:23:35 -0400 Subject: [PATCH] Rename config.h.in to cint_config.h.in --- CMakeLists.txt | 41 ++++++++++++++++++--------- src/c2f.h | 2 +- src/cart2sph.c | 2 +- src/cint1e.h | 2 +- src/cint2e.h | 2 +- src/cint_bas.h | 3 +- src/{config.h.in => cint_config.h.in} | 0 src/fmt.c | 2 +- src/g2e.c | 2 +- src/g2e.h | 2 +- src/g2e_f12.c | 2 +- src/g3c2e.c | 2 +- src/misc.c | 2 +- src/misc.h | 2 +- src/optimizer.c | 2 +- src/rys_roots.c | 2 +- src/rys_roots.h | 2 +- src/rys_wheeler.c | 2 +- 18 files changed, 45 insertions(+), 29 deletions(-) rename src/{config.h.in => cint_config.h.in} (100%) diff --git a/CMakeLists.txt b/CMakeLists.txt index 71d68676..3eff6414 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -57,19 +57,20 @@ check_function_exists(sqrtl HAVE_SQRTL) #set(CMAKE_REQUIRED_LIBRARIES quadmath) #check_function_exists(fabsq HAVE_QUADMATH_H) -include_directories( - ${PROJECT_BINARY_DIR}/include - ${PROJECT_SOURCE_DIR}/src - ${PROJECT_BINARY_DIR}/src) configure_file( - "${PROJECT_SOURCE_DIR}/src/config.h.in" - "${PROJECT_BINARY_DIR}/src/config.h") + "${PROJECT_SOURCE_DIR}/src/cint_config.h.in" + "${PROJECT_BINARY_DIR}/src/cint_config.h") configure_file( "${PROJECT_SOURCE_DIR}/include/cint.h.in" "${PROJECT_BINARY_DIR}/include/cint.h") +configure_file( + "${PROJECT_SOURCE_DIR}/include/cint_funcs.h" + "${PROJECT_BINARY_DIR}/include/cint_funcs.h" COPYONLY) + + set(cintSrc src/c2f.c src/cart2sph.c src/cint1e.c src/cint2e.c src/cint_bas.c src/fblas.c src/g1e.c src/g2e.c src/misc.c src/optimizer.c @@ -87,7 +88,7 @@ set(cintSrc #option(WITH_RANGE_COULOMB "Range separated Coulomb" on) if(WITH_RANGE_COULOMB) -# defined in config.h +# defined in cint_config.h # add_definitions(-DWITH_RANGE_COULOMB) # message("Enabled WITH_RANGE_COULOMB") endif(WITH_RANGE_COULOMB) @@ -167,7 +168,24 @@ if(ENABLE_STATIC) set(BUILD_SHARED_LIBS 0) endif() + +set(CintHeaders + ${PROJECT_SOURCE_DIR}/include/cint_funcs.h + ${PROJECT_BINARY_DIR}/include/cint.h) + + add_library(cint ${cintSrc}) + +target_include_directories(cint + PUBLIC + $ + $ + PRIVATE + ${PROJECT_BINARY_DIR}/src + ${PROJECT_SOURCE_DIR}/src +) + + set_target_properties(cint PROPERTIES VERSION ${cint_VERSION} SOVERSION ${cint_SOVERSION} @@ -178,9 +196,6 @@ endif() target_link_libraries(cint "-lm") -set(CintHeaders - ${PROJECT_SOURCE_DIR}/include/cint_funcs.h - ${PROJECT_BINARY_DIR}/include/cint.h) install(TARGETS cint DESTINATION "${CMAKE_INSTALL_PREFIX}/${CMAKE_INSTALL_LIBDIR}" COMPONENT "lib") install(FILES ${CintHeaders} DESTINATION ${CMAKE_INSTALL_PREFIX}/${CMAKE_INSTALL_INCLUDEDIR} COMPONENT "dev") @@ -217,9 +232,9 @@ set(CPACK_DEBIAN_COMPRESSION_TYPE "xz") set(CPACK_PACKAGE_VENDOR "Qiming @sunqm Sun") set(CPACK_PACKAGE_CONTACT "https://github.com/sunqm/libcint") set(CPACK_PACKAGE_HOMEPAGE_URL "https://github.com/sunqm/libcint") -set(CPACK_RESOURCE_FILE_LICENSE "${CMAKE_CURRENT_SOURCE_DIR}/LICENSE") -set(CPACK_RESOURCE_FILE_README "${CMAKE_CURRENT_SOURCE_DIR}/README.rst") -set(CPACK_PACKAGE_DESCRIPTION_FILE "${CMAKE_CURRENT_SOURCE_DIR}/doc/libcint.CPack.txt") +set(CPACK_RESOURCE_FILE_LICENSE "${PROJECT_SOURCE_DIR}/LICENSE") +set(CPACK_RESOURCE_FILE_README "${PROJECT_SOURCE_DIR}/README.rst") +set(CPACK_PACKAGE_DESCRIPTION_FILE "${PROJECT_SOURCE_DIR}/doc/libcint.CPack.txt") set(CPACK_PACKAGE_VERSION_MAJOR "${cint_VERSION_MAJOR}") set(CPACK_PACKAGE_VERSION_MINOR "${cint_VERSION_MINOR}") diff --git a/src/c2f.h b/src/c2f.h index 29536898..d2703bff 100644 --- a/src/c2f.h +++ b/src/c2f.h @@ -4,7 +4,7 @@ */ #ifdef WITH_FORTRAN -#include "config.h" +#include "cint_config.h" #define ALL_CINT_FORTRAN_(NAME) \ FINT c##NAME##_sph_(double *out, FINT *shls, FINT *atm, FINT *natm, \ diff --git a/src/cart2sph.c b/src/cart2sph.c index 9aa5ad12..6909c84b 100644 --- a/src/cart2sph.c +++ b/src/cart2sph.c @@ -12,7 +12,7 @@ #include #include -#include "config.h" +#include "cint_config.h" #include "cint_bas.h" #include "cart2sph.h" #include "misc.h" diff --git a/src/cint1e.h b/src/cint1e.h index c374766e..56b5bade 100644 --- a/src/cint1e.h +++ b/src/cint1e.h @@ -4,7 +4,7 @@ */ #include -#include "config.h" +#include "cint_config.h" FINT CINT1e_loop(double *gctr, CINTEnvVars *envs, double *cache, FINT int1e_type); diff --git a/src/cint2e.h b/src/cint2e.h index ec026299..17501d17 100644 --- a/src/cint2e.h +++ b/src/cint2e.h @@ -5,7 +5,7 @@ #include #include "g1e.h" -#include "config.h" +#include "cint_config.h" void CINTgout2e(double *g, double *gout, FINT *idx, CINTEnvVars *envs, FINT gout_empty); diff --git a/src/cint_bas.h b/src/cint_bas.h index ac9eac56..45c18c74 100644 --- a/src/cint_bas.h +++ b/src/cint_bas.h @@ -4,7 +4,8 @@ * basic cGTO function */ -#include "config.h" +#include "cint_config.h" +#include "cint.h" FINT CINTlen_cart(const FINT l); FINT CINTlen_spinor(const FINT bas_id, const FINT *bas); diff --git a/src/config.h.in b/src/cint_config.h.in similarity index 100% rename from src/config.h.in rename to src/cint_config.h.in diff --git a/src/fmt.c b/src/fmt.c index 0ce47dcd..791aeab5 100644 --- a/src/fmt.c +++ b/src/fmt.c @@ -15,7 +15,7 @@ #include #include -#include "config.h" +#include "cint_config.h" #include "rys_roots.h" #define SML_FLOAT64 (DBL_EPSILON * .5) #define SML_FLOAT80 2.0e-20 diff --git a/src/g2e.c b/src/g2e.c index fce2c186..b8610f48 100644 --- a/src/g2e.c +++ b/src/g2e.c @@ -7,7 +7,7 @@ #include #include #include -#include "config.h" +#include "cint_config.h" #include "cint_bas.h" #include "rys_roots.h" #include "misc.h" diff --git a/src/g2e.h b/src/g2e.h index 49ae6220..66982a51 100644 --- a/src/g2e.h +++ b/src/g2e.h @@ -4,7 +4,7 @@ * Provide the intermediate variable g(nroots,i,j,k,l,[xyz]) */ -#include "config.h" +#include "cint_config.h" #include "g1e.h" #ifndef HAVE_RYS2E diff --git a/src/g2e_f12.c b/src/g2e_f12.c index fcc892f5..8ef16ebf 100644 --- a/src/g2e_f12.c +++ b/src/g2e_f12.c @@ -8,7 +8,7 @@ #include #include #include -#include "config.h" +#include "cint_config.h" #include "cint_bas.h" #include "rys_roots.h" #include "misc.h" diff --git a/src/g3c2e.c b/src/g3c2e.c index 57473fdc..9421529f 100644 --- a/src/g3c2e.c +++ b/src/g3c2e.c @@ -7,7 +7,7 @@ #include #include #include -#include "config.h" +#include "cint_config.h" #include "cint_bas.h" #include "misc.h" #include "g2e.h" diff --git a/src/misc.c b/src/misc.c index c411bed8..35155896 100644 --- a/src/misc.c +++ b/src/misc.c @@ -6,7 +6,7 @@ #include #include -#include "config.h" +#include "cint_config.h" void CINTdcmplx_re(const FINT n, double complex *z, const double *re) { diff --git a/src/misc.h b/src/misc.h index 0cc80395..bcd82a2e 100644 --- a/src/misc.h +++ b/src/misc.h @@ -5,7 +5,7 @@ */ #include -#include "config.h" +#include "cint_config.h" #include "fblas.h" #define MIN(X,Y) ((X)<(Y)?(X):(Y)) diff --git a/src/optimizer.c b/src/optimizer.c index 3baf843a..35f1eb95 100644 --- a/src/optimizer.c +++ b/src/optimizer.c @@ -9,7 +9,7 @@ #include #include #include -#include "config.h" +#include "cint_config.h" #include "cint_bas.h" #include "g1e.h" #include "g1e_grids.h" diff --git a/src/rys_roots.c b/src/rys_roots.c index 45cf7c8c..edd27324 100644 --- a/src/rys_roots.c +++ b/src/rys_roots.c @@ -14,7 +14,7 @@ #include #include #include -#include "config.h" +#include "cint_config.h" #include "rys_roots.h" #include "roots_for_x0.dat" diff --git a/src/rys_roots.h b/src/rys_roots.h index 76a3b33c..a13c7123 100644 --- a/src/rys_roots.h +++ b/src/rys_roots.h @@ -1,4 +1,4 @@ -#include "config.h" +#include "cint_config.h" void CINTrys_roots(int nroots, double x, double *u, double *w); void CINTsr_rys_roots(int nroots, double x, double lower, double *u, double *w); diff --git a/src/rys_wheeler.c b/src/rys_wheeler.c index 04a65d23..7e835629 100644 --- a/src/rys_wheeler.c +++ b/src/rys_wheeler.c @@ -9,7 +9,7 @@ #include #include #include -#include "config.h" +#include "cint_config.h" #include "rys_roots.h" #define SQRTPIE4 .8862269254527580136490837416705725913987747280611935641069038949264