Compling errors due to int8_t (pyscf#1540)

* Fix issue pyscf#1535

* Improve numint.py regarding to issue pyscf#1537

pyscf/dft/numint.py

@@ -2847,7 +2847,7 @@ def _gen_rho_evaluator(self, mol, dms, hermi=0, with_lapl=True, grids=None):
         if hermi != 1 and dms[0].dtype == numpy.double:
             # (D + D.T)/2 because eval_rho computes 2*(|\nabla i> D_ij <j|) instead of
             # |\nabla i> D_ij <j| + |i> D_ij <\nabla j| for efficiency when dm is real
-            dms = lib.hermi_sum(dms, axes=(0,2,1)) * .5
+            dms = lib.hermi_sum(numpy.asarray(dms, order='C'), axes=(0,2,1)) * .5
             hermi = 1
 
         nao = dms[0].shape[0]

pyscf/lib/dft/nr_numint.c

@@ -17,6 +17,7 @@
  */
 
 #include <stdlib.h>
+#include <stdint.h>
 #include <assert.h>
 #include "config.h"
 #include "gto/grid_ao_drv.h"

pyscf/lib/dft/numint_uniform_grid.c

@@ -21,6 +21,7 @@
 
 #include <stdlib.h>
 #include <stdio.h>
+#include <stdint.h>
 #include <math.h>
 #include <assert.h>
 #include <complex.h>

pyscf/lib/dft/r_numint.c

@@ -18,6 +18,7 @@
 
 #include <stdlib.h>
 #include <stdio.h>
+#include <stdint.h>
 #include <complex.h>
 #include "config.h"
 #include "gto/grid_ao_drv.h"

pyscf/lib/gto/deriv1.c

@@ -17,6 +17,7 @@
  */
 
 #include <stdlib.h>
+#include <stdint.h>
 #include <math.h>
 #include <complex.h>
 #include "grid_ao_drv.h"

pyscf/lib/gto/deriv2.c

@@ -17,6 +17,7 @@
  */
 
 #include <stdlib.h>
+#include <stdint.h>
 #include <math.h>
 #include <complex.h>
 #include "gto/grid_ao_drv.h"

pyscf/lib/gto/ft_ao.c

@@ -44,6 +44,7 @@
 
 #include <stdlib.h>
 #include <stdio.h>
+#include <stdint.h>
 #include <math.h>
 #include <assert.h>
 #include <complex.h>

pyscf/lib/gto/grid_ao_drv.c

@@ -18,6 +18,7 @@
 
 #include <stdlib.h>
 #include <math.h>
+#include <stdint.h>
 #include <complex.h>
 #include "config.h"
 #include "grid_ao_drv.h"

pyscf/lib/pbc/cint3c2e.c

@@ -18,6 +18,7 @@
 
 #include <stdlib.h>
 #include <assert.h>
+#include <stdint.h>
 #include <math.h>
 //#include <omp.h>
 #include "config.h"

pyscf/lib/pbc/fill_ints.c

@@ -17,6 +17,7 @@
  */
 
 #include <stdlib.h>
+#include <stdint.h>
 #include <math.h>
 #include <complex.h>
 #include <assert.h>

pyscf/lib/pbc/fill_ints_sr.c

@@ -17,6 +17,7 @@
  */
 
 #include <stdlib.h>
+#include <stdint.h>
 #include <complex.h>
 #include <assert.h>
 #include <string.h>

pyscf/lib/pbc/grid_ao.c

@@ -17,6 +17,7 @@
  */
 
 #include <stdlib.h>
+#include <stdint.h>
 #include <math.h>
 #include <complex.h>
 #include "config.h"

pyscf/lib/pbc/nr_direct.c

@@ -17,6 +17,7 @@
  */
 
 #include <stdlib.h>
+#include <stdint.h>
 #include <assert.h>
 #include <math.h>
 //#include <omp.h>