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jlec 10/04/05 21:15:30 |
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|
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Added: 1.2.1-ifort.patch |
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Log: |
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Ifort support |
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(Portage version: 2.2_rc67/cvs/Linux x86_64) |
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|
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Revision Changes Path |
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1.1 sci-chemistry/cns/files/1.2.1-ifort.patch |
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|
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file : http://sources.gentoo.org/viewcvs.py/gentoo-x86/sci-chemistry/cns/files/1.2.1-ifort.patch?rev=1.1&view=markup |
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plain: http://sources.gentoo.org/viewcvs.py/gentoo-x86/sci-chemistry/cns/files/1.2.1-ifort.patch?rev=1.1&content-type=text/plain |
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|
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Index: 1.2.1-ifort.patch |
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=================================================================== |
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diff --git a/source/angledb.f b/source/angledb.f |
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index 28ad657..eaa847d 100644 |
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--- a/source/angledb.f |
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+++ b/source/angledb.f |
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@@ -1416,10 +1416,10 @@ C include files |
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C local variables |
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INTEGER COUNT, SPTR, OLDCLASS, OLDMAXANGLEDBS |
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INTEGER THETYPE, CURPSIS, CURPHIS |
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- INTEGER CLASSINDEX |
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+ INTEGER CLASINDEX |
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DOUBLE PRECISION K1, CUTOFF |
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CHARACTER*4 THENAME |
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- CHARACTER*20 CLASSNAME |
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+ CHARACTER*20 CLASNAME |
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C begin |
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C |
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IF (ANGLEDBFLAG) THEN |
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@@ -1450,10 +1450,10 @@ C |
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ELSE IF (WD(1:4).EQ.'CLAS') THEN |
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OLDCLASS = CURANGLEDBCLASS |
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CALL NEXTWD('class name =') |
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- CLASSNAME = WD(1:20) |
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+ CLASNAME = WD(1:20) |
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ANGLEDBMODE = NEW |
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DO COUNT = 1, NANGLEDBCLASSES |
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- IF (ANGDBCLASSNAMES(COUNT).EQ.CLASSNAME) THEN |
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+ IF (ANGDBCLASSNAMES(COUNT).EQ.CLASNAME) THEN |
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ANGLEDBMODE = UPDATE |
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CURANGLEDBCLASS = COUNT |
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END IF |
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@@ -1472,7 +1472,7 @@ C |
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END IF |
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NANGLEDBCLASSES = NANGLEDBCLASSES + 1 |
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CURANGLEDBCLASS = NANGLEDBCLASSES |
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- ANGDBCLASSNAMES(CURANGLEDBCLASS) = CLASSNAME |
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+ ANGDBCLASSNAMES(CURANGLEDBCLASS) = CLASNAME |
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ANGLEDBASSNDX(CURANGLEDBCLASS) = NANGLEDBS |
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END IF |
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C |
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@@ -1733,16 +1733,16 @@ C |
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& HEAP(ANGLEDBTPTR)) |
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ELSE IF (WD(1:4).EQ.'CLAS') THEN |
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CALL NEXTWD('Class name>') |
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- CLASSNAME = WD(1:20) |
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- CLASSINDEX = 0 |
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+ CLASNAME = WD(1:20) |
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+ CLASINDEX = 0 |
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DO COUNT = 1, NANGLEDBCLASSES |
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IF (ANGDBCLASSNAMES(COUNT).EQ. |
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- & CLASSNAME) THEN |
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+ & CLASNAME) THEN |
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PRINTTHISCLASS(COUNT) = .TRUE. |
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- CLASSINDEX = COUNT |
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+ CLASINDEX = COUNT |
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END IF |
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END DO |
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- IF (CLASSINDEX.EQ.0) THEN |
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+ IF (CLASINDEX.EQ.0) THEN |
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CALL DSPERR('ANGLEDB', |
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& 'unknown class. Using first.') |
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PRINTTHISCLASS(1) = .TRUE. |
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diff --git a/source/rama.f b/source/rama.f |
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index c5d14f2..3063e7b 100644 |
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--- a/source/rama.f |
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+++ b/source/rama.f |
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@@ -1468,11 +1468,11 @@ C include files |
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C local variables |
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INTEGER COUNT, SPTR, OLDCLASS, OLDMAXRAMAS, |
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& THETYPE, CURPSIS, CURPHIS, |
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- & CURCHIS, CURTHTS, CLASSINDEX |
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+ & CURCHIS, CURTHTS, CLASINDEX |
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INTEGER CLEN |
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DOUBLE PRECISION K1, CUTOFF |
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CHARACTER*4 THENAME |
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- CHARACTER*50 CLASSNAME |
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+ CHARACTER*50 CLASNAME |
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C begin |
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C |
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C this is used by READRAMA2 to hold the selection |
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@@ -1503,10 +1503,10 @@ C |
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ELSE IF (WD(1:4).EQ.'CLAS') THEN |
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OLDCLASS = CURRAMACLASS |
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CALL NEXTWD('class name =') |
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- CLASSNAME = WD(1:50) |
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+ CLASNAME = WD(1:50) |
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RAMAMODE = NEW |
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DO COUNT = 1, NRAMACLASSES |
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- IF (RAMACLASSNAMES(COUNT).EQ.CLASSNAME) THEN |
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+ IF (RAMACLASSNAMES(COUNT).EQ.CLASNAME) THEN |
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RAMAMODE = UPDATE |
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CURRAMACLASS = COUNT |
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END IF |
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@@ -1525,7 +1525,7 @@ C |
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END IF |
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NRAMACLASSES = NRAMACLASSES + 1 |
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CURRAMACLASS = NRAMACLASSES |
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- RAMACLASSNAMES(CURRAMACLASS) = CLASSNAME |
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+ RAMACLASSNAMES(CURRAMACLASS) = CLASNAME |
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END IF |
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C |
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C set force constant for current class, |
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@@ -1954,18 +1954,18 @@ C |
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& HEAP(RAMAATOMPTR), 0) |
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ELSE IF (WD(1:4).EQ.'CLAS') THEN |
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CALL NEXTWD('Class name>') |
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- CLASSINDEX = 0 |
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+ CLASINDEX = 0 |
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DO COUNT = 1, NRAMACLASSES |
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- IF (RAMACLASSNAMES(COUNT).EQ.CLASSNAME) |
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- & CLASSINDEX = COUNT |
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+ IF (RAMACLASSNAMES(COUNT).EQ.CLASNAME) |
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+ & CLASINDEX = COUNT |
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END DO |
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- IF (CLASSINDEX.EQ.0) THEN |
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+ IF (CLASINDEX.EQ.0) THEN |
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CALL DSPERR('RAMA', |
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& 'unknown class. Using first.') |
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- CLASSINDEX = 1 |
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+ CLASINDEX = 1 |
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END IF |
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CALL PRINTRAMAS(CUTOFF, HEAP(CALCRAMAPTR), |
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- & HEAP(RAMAATOMPTR), CLASSINDEX) |
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+ & HEAP(RAMAATOMPTR), CLASINDEX) |
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ELSE |
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CALL DSPERR('RAMA', |
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& 'Expected ALL or CLASs.') |
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