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-rwxr-xr-xvar/spack/repos/builtin/packages/nwchem/txs_gcc6.patch551
1 files changed, 551 insertions, 0 deletions
diff --git a/var/spack/repos/builtin/packages/nwchem/txs_gcc6.patch b/var/spack/repos/builtin/packages/nwchem/txs_gcc6.patch
new file mode 100755
index 0000000000..f0710af45f
--- /dev/null
+++ b/var/spack/repos/builtin/packages/nwchem/txs_gcc6.patch
@@ -0,0 +1,551 @@
+Index: src/NWints/texas/assemblx.f
+===================================================================
+--- src/NWints/texas/assemblx.f (revision 28366)
++++ src/NWints/texas/assemblx.f (working copy)
+@@ -133,7 +133,9 @@
+ * NQI,NQJ,NQK,NQL,NSIJ,NSKL,
+ * NQIJ,NQIJ1,NSIJ1,NQKL,NQKL1,NSKL1,ijbeg,klbeg
+ C
+- common /logic4/ nfu(1)
++ integer lpar1
++ parameter(lpar1=34)
++ common /logic4/ nfu(lpar1)
+ c
+ dimension indx(*)
+ dimension xt1(nbls1,lt1,lt2)
+@@ -258,7 +260,9 @@
+ * lni,lnj,lnk,lnl,lnij,lnkl,lnijkl,MMAX,
+ * NQI,NQJ,NQK,NQL,NSIJ,NSKL,
+ * NQIJ,NQIJ1,NSIJ1,NQKL,NQKL1,NSKL1,ijbeg,klbeg
+- common /logic4/ nfu(1)
++ integer lpar1
++ parameter(lpar1=34)
++ common /logic4/ nfu(lpar1)
+ dimension indx(*)
+ dimension xt1(nbls1,lt1,lt2)
+ dimension aax(nbls1),bbx(nbls1),ccx(nbls1)
+@@ -346,7 +350,9 @@
+ * lni,lnj,lnk,lnl,lnij,lnkl,lnijkl,MMAX,
+ * NQI,NQJ,NQK,NQL,NSIJ,NSKL,
+ * NQIJ,NQIJ1,NSIJ1,NQKL,NQKL1,NSKL1,ijbeg,klbeg
+- common /logic4/ nfu(1)
++ integer lpar1
++ parameter(lpar1=34)
++ common /logic4/ nfu(lpar1)
+ dimension indx(*)
+ dimension xt1(nbls1,lt1,lt2)
+ dimension aax(nbls1),bbx(nbls1),ccx(nbls1)
+@@ -428,7 +434,9 @@
+ * NQI,NQJ,NQK,NQL,NSIJ,NSKL,
+ * NQIJ,NQIJ1,NSIJ1,NQKL,NQKL1,NSKL1,ijbeg,klbeg
+ C
+- common /logic4/ nfu(1)
++ integer lpar1
++ parameter(lpar1=34)
++ common /logic4/ nfu(lpar1)
+ c
+ dimension indx(*)
+ dimension xt1(nbls1,lt1,lt2)
+@@ -626,7 +634,9 @@
+ character*11 scftype
+ character*8 where
+ common /runtype/ scftype,where
+- common /logic4/ nfu(1)
++ integer lpar1
++ parameter(lpar1=34)
++ common /logic4/ nfu(lpar1)
+ COMMON/SHELL/LSHELLT,LSHELIJ,LSHELKL,LHELP,LCAS2(4),LCAS3(4)
+ common /lcases/ lcase
+ common/obarai/
+@@ -913,7 +923,9 @@
+ * NQI,NQJ,NQK,NQL,NSIJ,NSKL,
+ * NQIJ,NQIJ1,NSIJ1,NQKL,NQKL1,NSKL1,ijbeg,klbeg
+ C
+- common /logic4/ nfu(1)
++ integer lpar1
++ parameter(lpar1=34)
++ common /logic4/ nfu(lpar1)
+ C
+ dimension indx(*)
+ dimension xt1(nbls1,lt1,lt2)
+@@ -972,7 +984,9 @@
+ implicit real*8 (a-h,o-z)
+ logical firstc
+ c
+- common /logic4/ nfu(1)
++ integer lpar1
++ parameter(lpar1=34)
++ common /logic4/ nfu(lpar1)
+ c
+ dimension indx(*)
+ dimension xt1(nbls1,lt1,lt2)
+@@ -1045,7 +1059,9 @@
+ * NQI,NQJ,NQK,NQL,NSIJ,NSKL,
+ * NQIJ,NQIJ1,NSIJ1,NQKL,NQKL1,NSKL1,ijbeg,klbeg
+ C
+- common /logic4/ nfu(1)
++ integer lpar1
++ parameter(lpar1=34)
++ common /logic4/ nfu(lpar1)
+ c
+ dimension indx(*)
+ dimension xt1(nbls1,lt1,lt2)
+@@ -1131,7 +1147,9 @@
+ * NQI,NQJ,NQK,NQL,NSIJ,NSKL,
+ * NQIJ,NQIJ1,NSIJ1,NQKL,NQKL1,NSKL1,ijbeg,klbeg
+ C
+- common /logic4/ nfu(1)
++ integer lpar1
++ parameter(lpar1=34)
++ common /logic4/ nfu(lpar1)
+ c
+ dimension indx(*)
+ dimension xt1(nbls1,lt1,lt2)
+@@ -1217,7 +1235,9 @@
+ * NQI,NQJ,NQK,NQL,NSIJ,NSKL,
+ * NQIJ,NQIJ1,NSIJ1,NQKL,NQKL1,NSKL1,ijbeg,klbeg
+ C
+- common /logic4/ nfu(1)
++ integer lpar1
++ parameter(lpar1=34)
++ common /logic4/ nfu(lpar1)
+ C
+ dimension indx(*)
+ dimension xt1(nbls1,lt1,lt2), bf3l(nbls,lt5,lt6)
+@@ -1385,7 +1405,9 @@
+ character*11 scftype
+ character*8 where
+ common /runtype/ scftype,where
+- common /logic4/ nfu(1)
++ integer lpar1
++ parameter(lpar1=34)
++ common /logic4/ nfu(lpar1)
+ COMMON/SHELL/LSHELLT,LSHELIJ,LSHELKL,LHELP,LCAS2(4),LCAS3(4)
+ common /lcases/ lcase
+ common/obarai/
+@@ -1659,7 +1681,9 @@
+ * lni,lnj,lnk,lnl,lnij,lnkl,lnijkl,MMAX,
+ * NQI,NQJ,NQK,NQL,NSIJ,NSKL,
+ * NQIJ,NQIJ1,NSIJ1,NQKL,NQKL1,NSKL1,ijbeg,klbeg
+- common /logic4/ nfu(1)
++ integer lpar1
++ parameter(lpar1=34)
++ common /logic4/ nfu(lpar1)
+ dimension indx(*)
+ dimension xt1(nbls1,lt1,lt2)
+ dimension bfij1(nbls,lt3,lt4)
+@@ -1707,7 +1731,9 @@
+ * bfij3,lt3,lt4, factij, indx, ij3b,kl3b)
+ implicit real*8 (a-h,o-z)
+ logical firstc
+- common /logic4/ nfu(1)
++ integer lpar1
++ parameter(lpar1=34)
++ common /logic4/ nfu(lpar1)
+ dimension indx(*)
+ dimension xt1(nbls1,lt1,lt2)
+ dimension bfij3(nbls,lt3,lt4)
+@@ -1762,7 +1788,9 @@
+ * lni,lnj,lnk,lnl,lnij,lnkl,lnijkl,MMAX,
+ * NQI,NQJ,NQK,NQL,NSIJ,NSKL,
+ * NQIJ,NQIJ1,NSIJ1,NQKL,NQKL1,NSKL1,ijbeg,klbeg
+- common /logic4/ nfu(1)
++ integer lpar1
++ parameter(lpar1=34)
++ common /logic4/ nfu(lpar1)
+ dimension indx(*)
+ dimension xt1(nbls1,lt1,lt2)
+ dimension bf2l1(nbls,lt3,lt4)
+@@ -1829,7 +1857,9 @@
+ * lni,lnj,lnk,lnl,lnij,lnkl,lnijkl,MMAX,
+ * NQI,NQJ,NQK,NQL,NSIJ,NSKL,
+ * NQIJ,NQIJ1,NSIJ1,NQKL,NQKL1,NSKL1,ijbeg,klbeg
+- common /logic4/ nfu(1)
++ integer lpar1
++ parameter(lpar1=34)
++ common /logic4/ nfu(lpar1)
+ dimension indx(*)
+ dimension xt1(nbls1,lt1,lt2)
+ dimension bf3l(nbls,lt5,lt6)
+@@ -1895,7 +1925,9 @@
+ * lni,lnj,lnk,lnl,lnij,lnkl,lnijkl,MMAX,
+ * NQI,NQJ,NQK,NQL,NSIJ,NSKL,
+ * NQIJ,NQIJ1,NSIJ1,NQKL,NQKL1,NSKL1,ijbeg,klbeg
+- common /logic4/ nfu(1)
++ integer lpar1
++ parameter(lpar1=34)
++ common /logic4/ nfu(lpar1)
+ dimension indx(*)
+ dimension xt1(nbls1,lt1,lt2), bf3l(nbls,lt5,lt6)
+ cccc dimension facti(*), factkl(*)
+@@ -2018,7 +2050,9 @@
+ * lni,lnj,lnk,lnl,lnij,lnkl,lnijkl,MMAX,
+ * NQI,NQJ,NQK,NQL,NSIJ,NSKL,
+ * NQIJ,NQIJ1,NSIJ1,NQKL,NQKL1,NSKL1,ijbeg,klbeg
+- common /logic4/ nfu(1)
++ integer lpar1
++ parameter(lpar1=34)
++ common /logic4/ nfu(lpar1)
+ dimension indx(*)
+ dimension xt1(nbls1,lt1,lt2)
+ dimension aax(nbls1),bbx(nbls1),ccx(nbls1)
+@@ -2110,7 +2144,9 @@
+ * lni,lnj,lnk,lnl,lnij,lnkl,lnijkl,MMAX,
+ * NQI,NQJ,NQK,NQL,NSIJ,NSKL,
+ * NQIJ,NQIJ1,NSIJ1,NQKL,NQKL1,NSKL1,ijbeg,klbeg
+- common /logic4/ nfu(1)
++ integer lpar1
++ parameter(lpar1=34)
++ common /logic4/ nfu(lpar1)
+ dimension indx(*)
+ dimension xt1(nbls1,lt1,lt2)
+ dimension aax(nbls1),bbx(nbls1),ccx(nbls1)
+@@ -2196,7 +2232,9 @@
+ * NQI,NQJ,NQK,NQL,NSIJ,NSKL,
+ * NQIJ,NQIJ1,NSIJ1,NQKL,NQKL1,NSKL1,ijbeg,klbeg
+ C
+- common /logic4/ nfu(1)
++ integer lpar1
++ parameter(lpar1=34)
++ common /logic4/ nfu(lpar1)
+ c
+ dimension indx(*)
+ dimension xt1(nbls1,lt1,lt2)
+Index: src/NWints/texas/derivat.f
+===================================================================
+--- src/NWints/texas/derivat.f (revision 28366)
++++ src/NWints/texas/derivat.f (working copy)
+@@ -16,7 +16,9 @@
+ c
+ implicit real*8 (a-h,o-z)
+ c
+- common /logic4/ nfu(1)
++ integer lpar1
++ parameter (lpar1=34)
++ common /logic4/ nfu(lpar1)
+ common /big/ bl(1)
+ COMMON/SHELL/LSHELLT,LSHELIJ,LSHELKL,LHELP,LCAS2(4),LCAS3(4)
+ common /lcases/ lcase
+@@ -289,9 +291,15 @@
+ * nqij,nqkl, deriv, xab,xcd, xyab,xycd)
+ implicit real*8 (a-h,o-z)
+ c
+- common /logic4/ nfu(1)
+- common /logic10/ nmxyz(3,1)
+- common /logic11/ npxyz(3,1)
++ integer lpar1,lpar2,lpar3,lpar4,lpar5
++ parameter(lpar1=34,lpar2=6545,lpar3=4060,lpar4=10,lpar5=33)
++ common /logic1/ ndege(lpar4)
++ common /logic2/ len(lpar4)
++ common /logic3/ lensm(lpar5)
++ common /logic4/ nfu(lpar1)
++ common /logic9/ nia(3,lpar2)
++ common /logic10/ nmxyz(3,lpar2)
++ common /logic11/ npxyz(3,lpar3)
+ c
+ dimension buf2(nbls,lnijr,lnklr,ngcd)
+ dimension deriv(6,nbls,lnij,lnkl,ngcd)
+@@ -374,7 +382,9 @@
+ c
+ implicit real*8 (a-h,o-z)
+ c
+- common /logic4/ nfu(1)
++ integer lpar1
++ parameter(lpar1=34)
++ common /logic4/ nfu(lpar1)
+ COMMON/SHELL/LSHELLT,LSHELIJ,LSHELKL,LHELP,LCAS2(4),LCAS3(4)
+ common /lcases/ lcase
+ common/obarai/
+@@ -705,10 +715,15 @@
+ c second-der. That's why dimension for buf2(ndim,*,*,*,*) has ndim=4
+ c for first- and ndim=10 for second-derivatives.
+ c
+- common /logic4/ nfu(1)
+- common /logic9/ nia(3,1)
+- common /logic10/ nmxyz(3,1)
+- common /logic11/ npxyz(3,1)
++ integer lpar1,lpar2,lpar3,lpar4,lpar5
++ parameter(lpar1=34,lpar2=6545,lpar3=4060,lpar4=10,lpar5=33)
++ common /logic1/ ndege(lpar4)
++ common /logic2/ len(lpar4)
++ common /logic3/ lensm(lpar5)
++ common /logic4/ nfu(lpar1)
++ common /logic9/ nia(3,lpar2)
++ common /logic10/ nmxyz(3,lpar2)
++ common /logic11/ npxyz(3,lpar3)
+ c
+ cccc dimension buf2(4,nbls,lnijr,lnklr,ngcd) OR buf2(10,etc.)
+ c2002 dimension buf2(ndim,nbls,lnijr,lnklr,ngcd)
+@@ -862,7 +877,9 @@
+ c
+ implicit real*8 (a-h,o-z)
+ c
+- common /logic4/ nfu(1)
++ integer lpar1
++ parameter(lpar1=34)
++ common /logic4/ nfu(lpar1)
+ COMMON/SHELL/LSHELLT,LSHELIJ,LSHELKL,LHELP,LCAS2(4),LCAS3(4)
+ common /lcases/ lcase
+ common/obarai/
+@@ -1131,10 +1148,15 @@
+ * nqij,nqkl,der2,xab)
+ implicit real*8 (a-h,o-z)
+ c
+- common /logic4/ nfu(1)
+- common /logic9/ nia(3,1)
+- common /logic10/ nmxyz(3,1)
+- common /logic11/ npxyz(3,1)
++ integer lpar1,lpar2,lpar3,lpar4,lpar5
++ parameter(lpar1=34,lpar2=6545,lpar3=4060,lpar4=10,lpar5=33)
++ common /logic1/ ndege(lpar4)
++ common /logic2/ len(lpar4)
++ common /logic3/ lensm(lpar5)
++ common /logic4/ nfu(lpar1)
++ common /logic9/ nia(3,lpar2)
++ common /logic10/ nmxyz(3,lpar2)
++ common /logic11/ npxyz(3,lpar3)
+ c
+ c2002 dimension buf2(10,nbls,lnijr,lnklr,ngcd)
+ dimension buf2(nbls,lnijr,lnklr,ngcd,10)
+@@ -1386,10 +1408,15 @@
+ * nqij,nqkl,
+ * nder_aa,der2)
+ implicit real*8 (a-h,o-z)
+- common /logic4/ nfu(1)
+- common /logic9/ nia(3,1)
+- common /logic10/ nmxyz(3,1)
+- common /logic11/ npxyz(3,1)
++ integer lpar1,lpar2,lpar3,lpar4,lpar5
++ parameter(lpar1=34,lpar2=6545,lpar3=4060,lpar4=10,lpar5=33)
++ common /logic1/ ndege(lpar4)
++ common /logic2/ len(lpar4)
++ common /logic3/ lensm(lpar5)
++ common /logic4/ nfu(lpar1)
++ common /logic9/ nia(3,lpar2)
++ common /logic10/ nmxyz(3,lpar2)
++ common /logic11/ npxyz(3,lpar3)
+ c
+ dimension buf2(nbls,lnijr,lnklr,ngcd,10)
+ dimension der2(45,nbls,lnij,lnkl,ngcd)
+@@ -1462,10 +1489,15 @@
+ * nqij,nqkl,
+ * nder_cc,der2)
+ implicit real*8 (a-h,o-z)
+- common /logic4/ nfu(1)
+- common /logic9/ nia(3,1)
+- common /logic10/ nmxyz(3,1)
+- common /logic11/ npxyz(3,1)
++ integer lpar1,lpar2,lpar3,lpar4,lpar5
++ parameter(lpar1=34,lpar2=6545,lpar3=4060,lpar4=10,lpar5=33)
++ common /logic1/ ndege(lpar4)
++ common /logic2/ len(lpar4)
++ common /logic3/ lensm(lpar5)
++ common /logic4/ nfu(lpar1)
++ common /logic9/ nia(3,lpar2)
++ common /logic10/ nmxyz(3,lpar2)
++ common /logic11/ npxyz(3,lpar3)
+ c
+ c2002 dimension buf2(10,nbls,lnijr,lnklr,ngcd)
+ dimension buf2(nbls,lnijr,lnklr,ngcd,10)
+@@ -1533,10 +1565,15 @@
+ * nqij,nqkl,
+ * nder_bb,der2,xab)
+ implicit real*8 (a-h,o-z)
+- common /logic4/ nfu(1)
+- common /logic9/ nia(3,1)
+- common /logic10/ nmxyz(3,1)
+- common /logic11/ npxyz(3,1)
++ integer lpar1,lpar2,lpar3,lpar4,lpar5
++ parameter(lpar1=34,lpar2=6545,lpar3=4060,lpar4=10,lpar5=33)
++ common /logic1/ ndege(lpar4)
++ common /logic2/ len(lpar4)
++ common /logic3/ lensm(lpar5)
++ common /logic4/ nfu(lpar1)
++ common /logic9/ nia(3,lpar2)
++ common /logic10/ nmxyz(3,lpar2)
++ common /logic11/ npxyz(3,lpar3)
+ c
+ c2002 dimension buf2(10,nbls,lnijr,lnklr,ngcd)
+ dimension buf2(nbls,lnijr,lnklr,ngcd,10)
+@@ -1592,10 +1629,15 @@
+ * nqij,nqkl,
+ * nder_ab,der2,xab)
+ implicit real*8 (a-h,o-z)
+- common /logic4/ nfu(1)
+- common /logic9/ nia(3,1)
+- common /logic10/ nmxyz(3,1)
+- common /logic11/ npxyz(3,1)
++ integer lpar1,lpar2,lpar3,lpar4,lpar5
++ parameter(lpar1=34,lpar2=6545,lpar3=4060,lpar4=10,lpar5=33)
++ common /logic1/ ndege(lpar4)
++ common /logic2/ len(lpar4)
++ common /logic3/ lensm(lpar5)
++ common /logic4/ nfu(lpar1)
++ common /logic9/ nia(3,lpar2)
++ common /logic10/ nmxyz(3,lpar2)
++ common /logic11/ npxyz(3,lpar3)
+ c
+ c2002 dimension buf2(10,nbls,lnijr,lnklr,ngcd)
+ dimension buf2(nbls,lnijr,lnklr,ngcd,10)
+@@ -1668,10 +1710,15 @@
+ * nqij,nqkl,
+ * nder_ac,der2)
+ implicit real*8 (a-h,o-z)
+- common /logic4/ nfu(1)
+- common /logic9/ nia(3,1)
+- common /logic10/ nmxyz(3,1)
+- common /logic11/ npxyz(3,1)
++ integer lpar1,lpar2,lpar3,lpar4,lpar5
++ parameter(lpar1=34,lpar2=6545,lpar3=4060,lpar4=10,lpar5=33)
++ common /logic1/ ndege(lpar4)
++ common /logic2/ len(lpar4)
++ common /logic3/ lensm(lpar5)
++ common /logic4/ nfu(lpar1)
++ common /logic9/ nia(3,lpar2)
++ common /logic10/ nmxyz(3,lpar2)
++ common /logic11/ npxyz(3,lpar3)
+ c
+ c2002 dimension buf2(10,nbls,lnijr,lnklr,ngcd)
+ dimension buf2(nbls,lnijr,lnklr,ngcd,10)
+@@ -1742,10 +1789,15 @@
+ * nqij,nqkl,
+ * nder_bc,der2,xab)
+ implicit real*8 (a-h,o-z)
+- common /logic4/ nfu(1)
+- common /logic9/ nia(3,1)
+- common /logic10/ nmxyz(3,1)
+- common /logic11/ npxyz(3,1)
++ integer lpar1,lpar2,lpar3,lpar4,lpar5
++ parameter(lpar1=34,lpar2=6545,lpar3=4060,lpar4=10,lpar5=33)
++ common /logic1/ ndege(lpar4)
++ common /logic2/ len(lpar4)
++ common /logic3/ lensm(lpar5)
++ common /logic4/ nfu(lpar1)
++ common /logic9/ nia(3,lpar2)
++ common /logic10/ nmxyz(3,lpar2)
++ common /logic11/ npxyz(3,lpar3)
+ c
+ c2002 dimension buf2(10,nbls,lnijr,lnklr,ngcd)
+ dimension buf2(nbls,lnijr,lnklr,ngcd,10)
+Index: src/NWints/texas/gencon.f
+===================================================================
+--- src/NWints/texas/gencon.f (revision 28366)
++++ src/NWints/texas/gencon.f (working copy)
+@@ -388,7 +388,15 @@
+ * lni,lnj,lnk,lnl,lnij,lnkl,lnijkl,mmax,
+ * nqi,nqj,nqk,nql,nsij,nskl,
+ * nqij,nqij1,nsij1,nqkl,nqkl1,nskl1,ijbeg,klbeg
+- common /logic4/ nfu(1)
++ integer lpar1,lpar2,lpar3,lpar4,lpar5
++ parameter(lpar1=34,lpar2=6545,lpar3=4060,lpar4=10,lpar5=33)
++ common /logic1/ ndege(lpar4)
++ common /logic2/ len(lpar4)
++ common /logic3/ lensm(lpar5)
++ common /logic4/ nfu(lpar1)
++ common /logic9/ nia(3,lpar2)
++ common /logic10/ nmxyz(3,lpar2)
++ common /logic11/ npxyz(3,lpar3)
+ dimension indx(*)
+ dimension xt1(nbls1,lt1,lt2)
+ dimension buf2(nbls,lt1,lt2,ngcd)
+@@ -466,7 +474,15 @@
+ * NQI,NQJ,NQK,NQL,NSIJ,NSKL,
+ * NQIJ,NQIJ1,NSIJ1,NQKL,NQKL1,NSKL1,ijbeg,klbeg
+ c
+- common /logic4/ nfu(1)
++ integer lpar1,lpar2,lpar3,lpar4,lpar5
++ parameter(lpar1=34,lpar2=6545,lpar3=4060,lpar4=10,lpar5=33)
++ common /logic1/ ndege(lpar4)
++ common /logic2/ len(lpar4)
++ common /logic3/ lensm(lpar5)
++ common /logic4/ nfu(lpar1)
++ common /logic9/ nia(3,lpar2)
++ common /logic10/ nmxyz(3,lpar2)
++ common /logic11/ npxyz(3,lpar3)
+ c
+ dimension indx(*)
+ dimension xt1(nbls1,lt1,lt2)
+@@ -579,7 +595,15 @@
+ * lni,lnj,lnk,lnl,lnij,lnkl,lnijkl,mmax,
+ * nqi,nqj,nqk,nql,nsij,nskl,
+ * nqij,nqij1,nsij1,nqkl,nqkl1,nskl1,ijbeg,klbeg
+- common /logic4/ nfu(1)
++ integer lpar1,lpar2,lpar3,lpar4,lpar5
++ parameter(lpar1=34,lpar2=6545,lpar3=4060,lpar4=10,lpar5=33)
++ common /logic1/ ndege(lpar4)
++ common /logic2/ len(lpar4)
++ common /logic3/ lensm(lpar5)
++ common /logic4/ nfu(lpar1)
++ common /logic9/ nia(3,lpar2)
++ common /logic10/ nmxyz(3,lpar2)
++ common /logic11/ npxyz(3,lpar3)
+ dimension indx(*)
+ dimension xt1(nbls1,lt1,lt2)
+ dimension gcoef(nbls,ngcd)
+Index: src/NWints/texas/shells.f
+===================================================================
+--- src/NWints/texas/shells.f (revision 28366)
++++ src/NWints/texas/shells.f (working copy)
+@@ -5,7 +5,12 @@
+ common /contr/ ngci,ngcj,ngck,ngcl,lci,lcj,lck,lcl,lcij,lckl
+ common /lengt/ ilen,jlen,klen,llen, ilen1,jlen1,klen1,llen1
+ common /gcont/ ngci1,ngcj1,ngck1,ngcl1,ngcd
+- common /logic2/ len(1)
++ integer lpar1,lpar4,lpar5
++ parameter(lpar1=34,lpar4=10,lpar5=33)
++ common /logic1/ ndege(lpar4)
++ common /logic2/ len(lpar4)
++ common /logic3/ lensm(lpar5)
++ common /logic4/ nfu(lpar1)
+ dimension inx(12,*)
+ c
+ c This subroutine sets up TYPE and LENGTH of shells and
+@@ -93,10 +98,12 @@
+ * NQI,NQJ,NQK,NQL,NSIJ,NSKL,
+ * NQIJ,NQIJ1,NSIJ1,NQKL,NQKL1,NSKL1,ijbeg,klbeg
+ C
+- common /logic1/ ndege(1)
+- common /logic2/ len(1)
+- common /logic3/ lensm(1)
+- common /logic4/ nfu(1)
++ integer lpar1,lpar4,lpar5
++ parameter(lpar1=34,lpar4=10,lpar5=33)
++ common /logic1/ ndege(lpar4)
++ common /logic2/ len(lpar4)
++ common /logic3/ lensm(lpar5)
++ common /logic4/ nfu(lpar1)
+ c
+ COMMON/SHELL/LSHELLT,LSHELIJ,LSHELKL,LHELP,LCAS2(4),LCAS3(4)
+ common /lcases/ lcase
+@@ -237,7 +244,15 @@
+ * lni,lnj,lnk,lnl,lnij,lnkl,lnijkl,MMAX,
+ * NQI,NQJ,NQK,NQL,NSIJ,NSKL,
+ * NQIJ,NQIJ1,NSIJ1,NQKL,NQKL1,NSKL1,ijbeg,klbeg
+- common /logic3/ lensm(1)
++ integer lpar1,lpar2,lpar3,lpar4,lpar5
++ parameter(lpar1=34,lpar2=6545,lpar3=4060,lpar4=10,lpar5=33)
++ common /logic1/ ndege(lpar4)
++ common /logic2/ len(lpar4)
++ common /logic3/ lensm(lpar5)
++ common /logic4/ nfu(lpar1)
++ common /logic9/ nia(3,lpar2)
++ common /logic10/ nmxyz(3,lpar2)
++ common /logic11/ npxyz(3,lpar3)
+ c
+ C************************************************************
+ c
+Index: src/NWints/texas/zeroint.f
+===================================================================
+--- src/NWints/texas/zeroint.f (revision 28366)
++++ src/NWints/texas/zeroint.f (working copy)
+@@ -12,7 +12,9 @@
+ character*11 scftype
+ character*8 where
+ common /runtype/ scftype,where
+- common /logic4/ nfu(1)
++ integer lpar1
++ parameter (lpar1=34)
++ common /logic4/ nfu(lpar1)
+ COMMON/SHELL/LSHELLT,LSHELIJ,LSHELKL,LHELP,LCAS2(4),LCAS3(4)
+ common /lcases/ lcase
+ common/obarai/
generated by cgit v1.2.3-60-g2f50 (git 2.42.0) at 2024-07-16 11:31:28 +0000