From f49eb48e0c8145581606cce146fe76f157eabb3b Mon Sep 17 00:00:00 2001
From: edoapra <edoardo.apra@gmail.com>
Date: Thu, 13 Feb 2020 17:52:06 +0000
Subject: [PATCH] fixes for flang bug on arithmetic if
 https://github.com/flang-compiler/flang/issues/844
 https://github.com/nwchemgit/nwchem/pull/179

---
 src/ddscf/fast/{sint.f => sint.F}   | 29 +++++++++++++++++++++++++++++
 src/ddscf/fast/{vsint.f => vsint.F} | 23 +++++++++++++++++++++++
 2 files changed, 52 insertions(+)
 rename src/ddscf/fast/{sint.f => sint.F} (98%)
 rename src/ddscf/fast/{vsint.f => vsint.F} (99%)

diff --git a/src/ddscf/fast/sint.f b/src/ddscf/fast/sint.F
similarity index 98%
rename from src/ddscf/fast/sint.f
rename to src/ddscf/fast/sint.F
index 7b7e0b9b22..7f042f6120 100644
--- a/src/ddscf/fast/sint.f
+++ b/src/ddscf/fast/sint.F
@@ -77,6 +77,7 @@ SUBROUTINE SINT1(N,WAR,WAS,XH,X,IFAC)
       DOUBLE PRECISION T1
       DOUBLE PRECISION T2
       DOUBLE PRECISION WAR(*),WAS(*),X(*),XH(*)
+      integer*4 n4
       INTEGER IFAC(*)
       DATA SQRT3/1.73205080756888D0/
 C
@@ -86,7 +87,12 @@ SUBROUTINE SINT1(N,WAR,WAS,XH,X,IFAC)
           XH(I) = WAR(I)
           WAR(I) = X(I)
   100 CONTINUE
+#if 1
+      n4=n-2
+      IF (n4) 101,102,103
+#else
       IF (N-2) 101,102,103
+#endif
   101 XH(1) = XH(1) + XH(1)
       GO TO 106
   102 XHOLD = SQRT3* (XH(1)+XH(2))
@@ -241,6 +247,7 @@ SUBROUTINE RFFTI1(N,WA,IFAC)
       DOUBLE PRECISION ARG
       DOUBLE PRECISION WA(*)
       INTEGER IFAC(*),NTRYH(4)
+      integer*4 n4
       DATA NTRYH(1),NTRYH(2),NTRYH(3),NTRYH(4)/4,2,3,5/
 C
 C FFTPACK 5.0 auxiliary routine
@@ -250,13 +257,23 @@ SUBROUTINE RFFTI1(N,WA,IFAC)
       NTRY = 0
       J = 0
   101 J = J + 1
+#if 1
+      n4=j-4
+      IF (n4) 102,102,103
+#else
       IF (J-4) 102,102,103
+#endif
   102 NTRY = NTRYH(J)
       GO TO 104
   103 NTRY = NTRY + 2
   104 NQ = NL/NTRY
       NR = NL - NTRY*NQ
+#if 1
+      n4=NR
+      IF (n4) 101,105,101
+#else
       IF (NR) 101,105,101
+#endif
   105 NF = NF + 1
       IFAC(NF+2) = NTRY
       NL = NQ
@@ -318,6 +335,7 @@ SUBROUTINE RADF2(IDO,L1,CC,CH,WA1)
       DOUBLE PRECISION TR2
       DOUBLE PRECISION TI2
       DOUBLE PRECISION CH(IDO,2,L1),CC(IDO,L1,2),WA1(*)
+      integer*4 n4
 C
 C FFTPACK 5.0 auxiliary routine
 C
@@ -325,7 +343,12 @@ SUBROUTINE RADF2(IDO,L1,CC,CH,WA1)
           CH(1,1,K) = CC(1,K,1) + CC(1,K,2)
           CH(IDO,2,K) = CC(1,K,1) - CC(1,K,2)
   101 CONTINUE
+#if 1
+      n4=ido-2
+      IF (n4) 107,105,102
+#else
       IF (IDO-2) 107,105,102
+#endif
   102 IDP2 = IDO + 2
       DO 104 K = 1,L1
           DO 103 I = 3,IDO,2
@@ -439,6 +462,7 @@ SUBROUTINE RADF4(IDO,L1,CC,CH,WA1,WA2,WA3)
       DOUBLE PRECISION TI3
       DOUBLE PRECISION TR3
       DOUBLE PRECISION CC(IDO,L1,4),CH(IDO,4,L1),WA1(*),WA2(*),WA3(*)
+      integer*4 n4
       DATA HSQT2/.7071067811865475D0/
 C
 C FFTPACK 5.0 auxiliary routine
@@ -451,7 +475,12 @@ SUBROUTINE RADF4(IDO,L1,CC,CH,WA1,WA2,WA3)
           CH(IDO,2,K) = CC(1,K,1) - CC(1,K,3)
           CH(1,3,K) = CC(1,K,4) - CC(1,K,2)
   101 CONTINUE
+#if 1
+      n4=ido-2
+      IF (n4) 107,105,102
+#else
       IF (IDO-2) 107,105,102
+#endif
   102 IDP2 = IDO + 2
       DO 104 K = 1,L1
           DO 103 I = 3,IDO,2
diff --git a/src/ddscf/fast/vsint.f b/src/ddscf/fast/vsint.F
similarity index 99%
rename from src/ddscf/fast/vsint.f
rename to src/ddscf/fast/vsint.F
index 28642472e8..9d1ad0ea15 100644
--- a/src/ddscf/fast/vsint.f
+++ b/src/ddscf/fast/vsint.F
@@ -172,6 +172,7 @@ SUBROUTINE VRADF2 (MP,IDO,L1,CC,CH,MDIMC,WA1)
 C
 C     VRFFTPK, VERSION 1, AUGUST 1985
 C
+      integer*4 n4
       DIMENSION   CH(MDIMC,IDO,2,L1)  ,CC(MDIMC,IDO,L1,2)     ,
      1                WA1(IDO)
       DO 101 K=1,L1
@@ -180,7 +181,12 @@ SUBROUTINE VRADF2 (MP,IDO,L1,CC,CH,MDIMC,WA1)
          CH(M,IDO,2,K) = CC(M,1,K,1)-CC(M,1,K,2)
  1001    CONTINUE
   101 CONTINUE
+#if 1
+      n4=ido-2
+      IF (n4) 107,105,102
+#else
       IF (IDO-2) 107,105,102
+#endif
   102 IDP2 = IDO+2
       DO 104 K=1,L1
          DO 103 I=3,IDO,2
@@ -258,6 +264,7 @@ SUBROUTINE VRADF4 (MP,IDO,L1,CC,CH,MDIMC,WA1,WA2,WA3)
 C
       DIMENSION    CC(MDIMC,IDO,L1,4)   ,CH(MDIMC,IDO,4,L1)     ,
      1                WA1(IDO)     ,WA2(IDO)     ,WA3(IDO)
+      integer*4 n4
       HSQT2=SQRT(2.d0)/2.d0
       DO 101 K=1,L1
          DO 1001 M=1,MP
@@ -269,7 +276,12 @@ SUBROUTINE VRADF4 (MP,IDO,L1,CC,CH,MDIMC,WA1,WA2,WA3)
          CH(M,1,3,K) =   CC(M,1,K,4)-CC(M,1,K,2)
  1001    CONTINUE
   101 CONTINUE
+#if 1
+      n4=ido-2
+      IF (n4) 107,105,102
+#else
       IF (IDO-2) 107,105,102
+#endif
   102 IDP2 = IDO+2
       DO 104 K=1,L1
          DO 103 I=3,IDO,2
@@ -965,19 +977,30 @@ SUBROUTINE VRFTI1 (N,WA,FAC)
 C     VRFFTPK, VERSION 1, AUGUST 1985
 C
       DIMENSION       WA(N)      ,FAC(15)    ,NTRYH(4)
+      integer*4 n4
       DATA NTRYH(1),NTRYH(2),NTRYH(3),NTRYH(4)/4,2,3,5/
       NTRY = 0
       NL = N
       NF = 0
       J = 0
   101 J = J+1
+#if 1
+      n4=j-4
+      IF (n4) 102,102,103
+#else
       IF (J-4) 102,102,103
+#endif
   102 NTRY = NTRYH(J)
       GO TO 104
   103 NTRY = NTRY+2
   104 NQ = NL/NTRY
       NR = NL-NTRY*NQ
+#if 1
+      n4=n5
+      IF (n4) 101,105,101
+#else
       IF (NR) 101,105,101
+#endif
   105 NF = NF+1
       FAC(NF+2) = NTRY
       NL = NQ