From dba3eb0cf7d27a6bf384da03b0cdb29005fa2b7f Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Wed, 28 Dec 2022 17:39:38 -0500
Subject: [PATCH] make AWPMD compatible with MSVC and c++-linalg on Windows

---
 lib/awpmd/ivutils/include/erf.h               | 19 ------
 lib/awpmd/ivutils/include/lapack_inter.h      | 67 +++++++------------
 lib/awpmd/systems/interact/TCP/wpmd.h         |  2 -
 lib/awpmd/systems/interact/TCP/wpmd_split.cpp |  2 -
 4 files changed, 25 insertions(+), 65 deletions(-)
 delete mode 100644 lib/awpmd/ivutils/include/erf.h

diff --git a/lib/awpmd/ivutils/include/erf.h b/lib/awpmd/ivutils/include/erf.h
deleted file mode 100644
index b1cdbcb9dc..0000000000
--- a/lib/awpmd/ivutils/include/erf.h
+++ /dev/null
@@ -1,19 +0,0 @@
-# ifndef ERF_H
-# define ERF_H
-
-# ifdef _WIN32
-
-# ifdef __cplusplus
-extern "C" {
-# endif
-
-double erf(double x);
-double erfc(double x);
-
-# ifdef __cplusplus
-}
-# endif
-
-# endif
-
-# endif
diff --git a/lib/awpmd/ivutils/include/lapack_inter.h b/lib/awpmd/ivutils/include/lapack_inter.h
index ac3e062b5b..a48ea5d821 100644
--- a/lib/awpmd/ivutils/include/lapack_inter.h
+++ b/lib/awpmd/ivutils/include/lapack_inter.h
@@ -1,53 +1,36 @@
 // Interface for LAPACK function
 
-# ifndef LAPACK_INTER_H
-# define LAPACK_INTER_H
+#ifndef LAPACK_INTER_H
+#define LAPACK_INTER_H
 
 #include <complex>
 typedef int lapack_int;
 typedef complex<float> lapack_complex_float;
 typedef complex<double> lapack_complex_double;
 
-#if defined(_WIN32) && !defined(__MINGW32__)
+#define DGETRF dgetrf_
+#define DGETRS dgetrs_
+#define DGETRI dgetri_
+#define ZPPTRF zpptrf_
+#define ZPPTRI zpptri_
 
-  //#define MKL_Complex8 lapack_complex_float
-  //#define MKL_Complex16 lapack_complex_double
-  #include "mkl.h"
-
-  inline void ZPPTRF( char* uplo, const lapack_int* n, lapack_complex_double* ap, lapack_int* info ) {
-    ZPPTRF(uplo, (int*)n, (MKL_Complex16*)ap, (int*)info);
-  }
-  inline void ZPPTRI( char* uplo, const lapack_int* n, lapack_complex_double* ap, lapack_int* info ){
-     ZPPTRI(uplo, (int*)n, (MKL_Complex16*)ap, (int*)info);
-  }
-
-#else
-
-  #define DGETRF dgetrf_
-  #define DGETRS dgetrs_
-  #define DGETRI dgetri_
-  #define ZPPTRF zpptrf_
-  #define ZPPTRI zpptri_
-
-  #ifdef __cplusplus
-  extern "C" {
-  #endif /* __cplusplus */
-  void dgetrf_( const lapack_int* m, const lapack_int* n, double* a, const lapack_int* lda,
-             lapack_int* ipiv, lapack_int* info );
-  void dgetrs_( const char* trans, const lapack_int* n, const lapack_int* nrhs,
-             const double* a, const lapack_int* lda, const lapack_int* ipiv,
-             double* b, const lapack_int* ldb, lapack_int* info );
-  void dgetri_( const lapack_int* n, double* a, const lapack_int* lda,
-             const lapack_int* ipiv, double* work, const lapack_int* lwork,
-             lapack_int* info );
-  void zpptrf_( const char* uplo, const lapack_int* n, lapack_complex_double* ap,
-             lapack_int* info );
-  void zpptri_( const char* uplo, const lapack_int* n, lapack_complex_double* ap,
-             lapack_int* info );
-  #ifdef __cplusplus
-  }
-  #endif /* __cplusplus */
-
-#endif
+#ifdef __cplusplus
+extern "C" {
+#endif /* __cplusplus */
+void dgetrf_(const lapack_int *m, const lapack_int *n, double *a,
+             const lapack_int *lda, lapack_int *ipiv, lapack_int *info);
+void dgetrs_(const char *trans, const lapack_int *n, const lapack_int *nrhs,
+             const double *a, const lapack_int *lda, const lapack_int *ipiv,
+             double *b, const lapack_int *ldb, lapack_int *info);
+void dgetri_(const lapack_int *n, double *a, const lapack_int *lda,
+             const lapack_int *ipiv, double *work, const lapack_int *lwork,
+             lapack_int *info);
+void zpptrf_(const char *uplo, const lapack_int *n, lapack_complex_double *ap,
+             lapack_int *info);
+void zpptri_(const char *uplo, const lapack_int *n, lapack_complex_double *ap,
+             lapack_int *info);
+#ifdef __cplusplus
+}
+#endif /* __cplusplus */
 
 #endif /* lapack_intER_H */
diff --git a/lib/awpmd/systems/interact/TCP/wpmd.h b/lib/awpmd/systems/interact/TCP/wpmd.h
index 4c65440014..06ac5886c3 100644
--- a/lib/awpmd/systems/interact/TCP/wpmd.h
+++ b/lib/awpmd/systems/interact/TCP/wpmd.h
@@ -149,10 +149,8 @@
 # include "pairhash.h"
 # include "TCP/tcpdefs.h"
 # include "wavepacket.h"
-# include "erf.h"
 # include "cerf.h"
 
-
 using namespace std;
 
 # include "lapack_inter.h"
diff --git a/lib/awpmd/systems/interact/TCP/wpmd_split.cpp b/lib/awpmd/systems/interact/TCP/wpmd_split.cpp
index f85b1ebf59..46a5776fef 100644
--- a/lib/awpmd/systems/interact/TCP/wpmd_split.cpp
+++ b/lib/awpmd/systems/interact/TCP/wpmd_split.cpp
@@ -1,6 +1,4 @@
 # include "wpmd_split.h"
-//# include "erf.h"
-
 
 void AWPMD_split::resize(int flag){
   for(int s=0;s<2;s++){