Rename config.h.in to cint_config.h.in

sunqm · Aug 7, 2024 · 810f0b2 · 810f0b2
1 parent 03e56ee
commit 810f0b2
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Showing 18 changed files with 45 additions and 29 deletions.
diff --git 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 
+  $<BUILD_INTERFACE:${PROJECT_BINARY_DIR}/include>
+  $<INSTALL_INTERFACE:${CMAKE_INSTALL_INCLUDEDIR}>
+  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
@@ -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
@@ -12,7 +12,7 @@
 
 #include <stdlib.h>
 #include <complex.h>
-#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
@@ -4,7 +4,7 @@
  */
 
 #include <complex.h>
-#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
@@ -5,7 +5,7 @@
 
 #include <complex.h>
 #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
@@ -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 → src/cint_config.h.in b/src/config.h.in → src/cint_config.h.in
diff --git a/src/fmt.c b/src/fmt.c
@@ -15,7 +15,7 @@
 
 #include <float.h>
 #include <math.h>
-#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
@@ -7,7 +7,7 @@
 #include <stdlib.h>
 #include <math.h>
 #include <assert.h>
-#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
@@ -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
@@ -8,7 +8,7 @@
 #include <stdlib.h>
 #include <math.h>
 #include <assert.h>
-#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
@@ -7,7 +7,7 @@
 #include <stdlib.h>
 #include <math.h>
 #include <assert.h>
-#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
@@ -6,7 +6,7 @@
 
 #include <math.h>
 #include <complex.h>
-#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
@@ -5,7 +5,7 @@
  */
 
 #include <stdint.h>
-#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
@@ -9,7 +9,7 @@
 #include <math.h>
 #include <string.h>
 #include <assert.h>
-#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
@@ -14,7 +14,7 @@
 #include <string.h>
 #include <float.h>
 #include <math.h>
-#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
@@ -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
@@ -9,7 +9,7 @@
 #include <assert.h>
 #include <float.h>
 #include <math.h>
-#include "config.h"
+#include "cint_config.h"
 #include "rys_roots.h"
 
 #define SQRTPIE4      .8862269254527580136490837416705725913987747280611935641069038949264