From 0b6907a257842c14a79bfd92c9980c8cfc237b8d Mon Sep 17 00:00:00 2001
From: Eric Bylaska <bylaska@gmail.com>
Date: Sat, 17 Jun 2023 19:40:47 -0700
Subject: [PATCH 01/11] Fixed velocity input in geom for system crystal
 option...EJB

---
 src/geom/geom.F             |  6 +++++-
 src/geom/geom_input.F       |  3 +++
 src/nwpw/nwpwlib/ion/ion.F  | 30 +++++++++++++++---------------
 src/symmetry/sym_nwc.F      | 11 ++++++++++-
 src/symmetry/sym_put_geom.F |  7 ++++++-
 5 files changed, 39 insertions(+), 18 deletions(-)

diff --git a/src/geom/geom.F b/src/geom/geom.F
index 089c6de750..de2ad8bfc1 100644
--- a/src/geom/geom.F
+++ b/src/geom/geom.F
@@ -1815,6 +1815,7 @@ logical function geom_cart_set(geom, ncent, t, c, q)
       end do
 c
       end
+
 c
 C> \brief Extract only the coordinates and charges from a geometry
 C> instance
@@ -2763,8 +2764,11 @@ logical function geom_print(geom)
          call util_print_centered(LuOut,'Velocities',40,.true.)
          write(LuOut,3) 
          do icent = 1, ncenter(geom)
+            do i = 1, 3
+               tmp(i) = velocities(i,icent,geom)/scale ! Scale units as necessary
+            end do
             write(LuOut,4) icent, tags(icent,geom), charge(icent,geom),
-     $           (velocities(i,icent,geom),i=1,3)
+     $           (tmp(i),i=1,3)
          end do
       endif
 c
diff --git a/src/geom/geom_input.F b/src/geom/geom_input.F
index 6972cf18b9..ba0b81f881 100644
--- a/src/geom/geom_input.F
+++ b/src/geom/geom_input.F
@@ -677,6 +677,9 @@ subroutine geom_input(rtdb)
       if (.not. geom_cart_get(geom, ncenter, tags, coords, charge))
      $     call errquit('geom_input: geom_cart_get failed', 0,
      &       GEOM_ERR)
+      if (.not. geom_vel_get(geom, velocities))
+     $     call errquit('geom_input: geom_vel_get failed', 0,
+     &       GEOM_ERR)
 
 c
 c     If doing user zmatrix then remember values of constant variables
diff --git a/src/nwpw/nwpwlib/ion/ion.F b/src/nwpw/nwpwlib/ion/ion.F
index c2bd622702..f448546cae 100644
--- a/src/nwpw/nwpwlib/ion/ion.F
+++ b/src/nwpw/nwpwlib/ion/ion.F
@@ -3,9 +3,9 @@
 *
 
 *     ***************************
-*     *				*
-*     *		ion_end 	*
-*     *				*
+*     *                         *
+*     *        ion_end          *
+*     *                         *
 *     ***************************
       subroutine ion_end()
       implicit none
@@ -54,9 +54,9 @@ subroutine ion_end()
       end
 
 *     ***************************
-*     *				*
-*     *		ion_write	*
-*     *				*
+*     *                         *
+*     *        ion_write        *
+*     *                         *
 *     ***************************
       subroutine ion_write(rtdb)
       implicit none
@@ -164,9 +164,9 @@ subroutine ion_write(rtdb)
       end
 
 *     ***************************
-*     *				*
-*     *		ion_destroy 	*
-*     *				*
+*     *                         *
+*     *        ion_destroy      *
+*     *                         *
 *     ***************************
       subroutine ion_destroy()
       implicit none
@@ -187,9 +187,9 @@ subroutine ion_destroy()
     
 
 *     ***************************
-*     *				*
-*     *		ion_init	*
-*     *				*
+*     *                         *
+*     *        ion_init         *
+*     *                         *
 *     ***************************
 *
 *        This routine reads in the ion data structure from the
@@ -1991,9 +1991,9 @@ double precision function ion_rion2(i,j)
 
 
 *     ***************************
-*     *				*
-*     *		ion_vion	*
-*     *				*
+*     *                         *
+*     *          ion_vion       *
+*     *                         *
 *     ***************************
 
       double precision function ion_vion(i,j)
diff --git a/src/symmetry/sym_nwc.F b/src/symmetry/sym_nwc.F
index ee1c8e9453..f68cc74590 100644
--- a/src/symmetry/sym_nwc.F
+++ b/src/symmetry/sym_nwc.F
@@ -78,10 +78,17 @@ subroutine sym_nwc(geom,rtdb,nata,oprint,scale,threquiv,nops)
      &     latags, iatags)
       LResult = MA_Push_Get(MT_Dbl,nata*(nops+1)*3,'scratch atoms',
      &     lcoord, icoord) .and. lresult
+      LResult = MA_Push_Get(MT_Dbl,nata*(nops+1)*3,'scratch velocities',
+     &     lvel, ivel) .and. lresult
       Lresult = MA_Push_Get(MT_Int,nata,'distinct atoms',ldatom,idatom)
      $     .and. lresult
       if (.not. lresult) call errquit('sym_nwc: dosymops ma failed', 0,
      &       MA_ERR)
+      do ii=1,nata
+          dbl_mb(ivel+3*(ii-1))   = velocities(1,ii,geom)
+          dbl_mb(ivel+3*(ii-1)+1) = velocities(2,ii,geom)
+          dbl_mb(ivel+3*(ii-1)+2) = velocities(3,ii,geom)
+      end do
 c
       call dosymops(sym_ops(1,1,geom),nops,coords(1,1,geom),
      $     tags(1,geom),nata,
@@ -89,6 +96,7 @@ subroutine sym_nwc(geom,rtdb,nata,oprint,scale,threquiv,nops)
      $     cdist,cang,Int_MB(idatom), 
      $     charge(1,geom), charge_new, geom_mass(1,geom),
      $     mass_new, geom_invnucexp(1,geom),invnucexp_new,threquiv)
+
 c
       if(nareal.gt.max_cent) then
         write(6,*)' Too many atoms, increase nw_max_atom in ',
@@ -139,7 +147,7 @@ subroutine sym_nwc(geom,rtdb,nata,oprint,scale,threquiv,nops)
 c     Note that the memory for the map (lmscr) is now freed in geom_destroy
 c
       call sym_put_in_geom(geom, nata, nareal,
-     $     Byte_MB(iatags), int_mb(idatom), dbl_mb(icoord),
+     $     Byte_MB(iatags), int_mb(idatom),dbl_mb(icoord),dbl_mb(ivel),
      $     lmscr, imscr, nops, charge_new, mass_new, invnucexp_new)
 c
 c ... sloppy way for the moment to fix units for 2-d case
@@ -221,6 +229,7 @@ subroutine sym_nwc(geom,rtdb,nata,oprint,scale,threquiv,nops)
 c--> final clean up of memory: gensym and dosymops activities
 c
       LResult = MA_Pop_Stack(ldatom)
+      LResult = MA_Pop_Stack(lvel)
       LResult = MA_Pop_Stack(lcoord)
       LResult = MA_Pop_Stack(latags)
 c
diff --git a/src/symmetry/sym_put_geom.F b/src/symmetry/sym_put_geom.F
index 30e7dcb9a1..642f41cdd0 100644
--- a/src/symmetry/sym_put_geom.F
+++ b/src/symmetry/sym_put_geom.F
@@ -1,5 +1,6 @@
       subroutine sym_put_in_geom(geom, nat_uniq, nat_new,
-     $     tags_new, uniq_cent, coords_new, l_map, k_map, nops,
+     $     tags_new, uniq_cent, coords_new, velocities_new,
+     $     l_map, k_map, nops,
      $     charge_new, mass_new, invnucexp_new)
 C$Id$
       implicit none
@@ -14,6 +15,7 @@ subroutine sym_put_in_geom(geom, nat_uniq, nat_new,
       character*16 tags_new(nat_new)
       integer uniq_cent(nat_uniq)
       double precision coords_new(3,nat_new)
+      double precision velocities_new(3,nat_new)
       double precision charge_new(max_cent)
       double precision mass_new(max_cent)
       double precision invnucexp_new(max_cent)
@@ -34,6 +36,9 @@ subroutine sym_put_in_geom(geom, nat_uniq, nat_new,
       enddo
       call dgemm('n', 'n', 3, nat_new, 3, 1.0d0, amatrix(1,1,geom), 3,
      $     coords_new, 3, 0.0d0, coords(1,1,geom), 3)
+      call dgemm('n', 'n', 3, nat_new, 3, 1.0d0, amatrix(1,1,geom), 3,
+     $     velocities_new, 3, 0.0d0, velocities(1,1,geom), 3)
+c
 c
       ncenter_unique(geom) = nat_uniq
       ncenter(geom) = nat_new

From a051d0966e6e0a73c04ca91bee11e4f7050e3aba Mon Sep 17 00:00:00 2001
From: edoapra <edoardo.apra@gmail.com>
Date: Mon, 12 Aug 2024 16:51:19 -0700
Subject: [PATCH 02/11] removed debug statement

---
 src/geom/geom_input.F | 1 -
 1 file changed, 1 deletion(-)

diff --git a/src/geom/geom_input.F b/src/geom/geom_input.F
index ba0b81f881..0c7125ca95 100644
--- a/src/geom/geom_input.F
+++ b/src/geom/geom_input.F
@@ -7620,7 +7620,6 @@ double complex function geom_powcmpl(c,s,n,big)
       endif
       if(abs(c).le.toll.and.
      .     abs(s).le.toll)then
-         write(6,*) ' zeroes'
          geom_powcmpl=cmplx(0d0,0d0)
       else
          if(n.ne.1) then

From aabd25e0d235f6ffaca7580497146d41547f127c Mon Sep 17 00:00:00 2001
From: edoapra <edoardo.apra@gmail.com>
Date: Fri, 4 Oct 2024 16:01:02 -0700
Subject: [PATCH 03/11] unsetting MALLOC_PERTURB for flang-new-20 because of
 https://github.com/flang-compiler/flang/issues/1456

---
 QA/runtests.mpi.unix | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/QA/runtests.mpi.unix b/QA/runtests.mpi.unix
index cbecbd4759..8d587398ec 100755
--- a/QA/runtests.mpi.unix
+++ b/QA/runtests.mpi.unix
@@ -32,7 +32,7 @@
 export HYDRA_DEBUG=0
 # find memory leaks using  this glibc feature that
 # initialized memory blocks to non-zero values
-if [[ -z "${USE_ASAN}" ]]; then
+if [[ -z "${USE_ASAN}"  ]] && [[ "${FC}" != "flang-new-20"  ]]; then
     export MALLOC_PERTURB_=$(($RANDOM % 255 + 1))
 fi    
 source ./qa_funcs.sh

From 9b64a7ec74b267241ec758598edcdddb4e954450 Mon Sep 17 00:00:00 2001
From: edoapra <edoardo.apra@gmail.com>
Date: Mon, 7 Oct 2024 13:54:19 -0700
Subject: [PATCH 04/11] 3 digit accuracy for PSPW because of
 https://github.com/nwchemgit/nwchem/issues/970

---
 QA/nwparse.pl | 26 +++++++++++++++++++++++++-
 1 file changed, 25 insertions(+), 1 deletion(-)

diff --git a/QA/nwparse.pl b/QA/nwparse.pl
index 20f164caea..5ee3af56ca 100644
--- a/QA/nwparse.pl
+++ b/QA/nwparse.pl
@@ -312,7 +312,7 @@
 	}
         if (! $sgroup) {
 	if (/Total/ && /energy/) {
-	 if (/SCF/ || /DFT/ || /CCSD/ || /MP2/ || /MCSCF/ || /RIMP2/ || /RISCF/ || /BAND/ || /PAW/ || /PSPW/ || /WFN1/ || /xTB/ ) {
+	 if (/SCF/ || /DFT/ || /CCSD/ || /MP2/ || /MCSCF/ || /RIMP2/ || /RISCF/ || /BAND/ || /PAW/ || /WFN1/ || /xTB/ ) {
 		if ($debug) {print "\ndebug: $_";}
 		@line_tokens = split(' ');
 		$num_line_tokens = @line_tokens;
@@ -335,6 +335,30 @@
 	}
 	}
         if (! $sgroup) {
+	if (/Total/ && /energy/) {
+	 if ( /PSPW/  ) {
+		if ($debug) {print "\ndebug: $_";}
+		@line_tokens = split(' ');
+		$num_line_tokens = @line_tokens;
+		if ($debug) {
+		    print "debug:line_tokens: @line_tokens \n";
+		    print "debug:number     : $num_line_tokens \n";
+		}
+		for($itok = 0;$itok < ($num_line_tokens-1); $itok++){
+		    if (! $quiet) {
+			printf "%s ", @line_tokens[$itok];
+		    }
+		    printf FILE_OUTPUT "%s ", @line_tokens[$itok];
+		}
+#                                                    *** Assumes $itok was incremented above
+		if (! $quiet) {
+		    printf "%.5f\n", set_to_digits(@line_tokens[$itok],4);
+		}
+		printf FILE_OUTPUT "%.5f\n", set_to_digits(@line_tokens[$itok],4);
+	    }
+	}
+	}
+        if (! $sgroup) {
 	if (/total/ && /energy/) {
 	    if ( /MBPT/ || /LCCD/ || /CCD/ || /LCCSD/ || /CCSD/ || /CCSDT/ || /CCSDTQ/ || /QCISD/ || /CISD/ || /CISDT/ || /CISDTQ/ ) {
 		if ($debug) {print "\ndebug: $_";}

From 540200033e0ea5617467c7e79054f85a36f41051 Mon Sep 17 00:00:00 2001
From: edoapra <edoardo.apra@gmail.com>
Date: Tue, 3 Sep 2024 18:26:48 -0700
Subject: [PATCH 05/11] gcc-14 test for macos-latest

---
 .github/workflows/github_actions.yml | 18 ++++++++++++++++++
 travis/build_env.sh                  |  9 +++++++--
 2 files changed, 25 insertions(+), 2 deletions(-)

diff --git a/.github/workflows/github_actions.yml b/.github/workflows/github_actions.yml
index 6d631f1741..91eaa3c512 100644
--- a/.github/workflows/github_actions.yml
+++ b/.github/workflows/github_actions.yml
@@ -395,6 +395,15 @@ jobs:
             cc: gcc
             blas: "brew_openblas"
             blas_size: 4
+          - os: macos-latest
+            experimental: true
+            mpi_impl: openmpi
+            armci_network: MPI-TS
+            nwchem_modules: "nwdft driver solvation"
+            fc: gfortran
+            cc: gcc
+            blas: "brew_openblas"
+            blas_size: 4
           - os: macos-14
             experimental: true
             mpi_impl: openmpi
@@ -405,6 +414,15 @@ jobs:
             blas: "brew_openblas"
             blas_size: 4
             xcode_version: 15.0.1
+          - os: macos-latest
+            experimental: true
+            mpi_impl: build_mpich
+            armci_network: MPI-TS
+            nwchem_modules: "nwdft driver solvation"
+            fc: gfortran-14
+            cc: gcc-14
+            blas: "brew_openblas"
+            blas_size: 4
       fail-fast: false
     env:
         MPI_IMPL: ${{ matrix.mpi_impl }}
diff --git a/travis/build_env.sh b/travis/build_env.sh
index eee5a5da44..8376e5508d 100755
--- a/travis/build_env.sh
+++ b/travis/build_env.sh
@@ -43,8 +43,13 @@ fi
 		$MYSUDO xcode-select -s /Applications/Xcode_"$XCODE_VERSION".app/Contents/Developer
 	    fi
 #  HOMEBREW_NO_AUTO_UPDATE=1 brew cask uninstall oclint || true  
-#  HOMEBREW_NO_INSTALL_CLEANUP=1  HOMEBREW_NO_AUTO_UPDATE=1 brew install gcc "$MPI_IMPL" openblas python3 ||true
-     HOMEBREW_NO_INSTALL_CLEANUP=1  HOMEBREW_NO_AUTO_UPDATE=1 brew reinstall gcc "$MPI_IMPL" gsed grep automake autoconf ||true
+	    #  HOMEBREW_NO_INSTALL_CLEANUP=1  HOMEBREW_NO_AUTO_UPDATE=1 brew install gcc "$MPI_IMPL" openblas python3 ||true
+	    if [[ "$MPI_IMPL" == "build_mpich" ]]; then
+		MPI_FORMULA=" "
+	    else
+		MPI_FORMULA="$MPI_IMPL"
+	    fi
+     HOMEBREW_NO_INSTALL_CLEANUP=1  HOMEBREW_NO_AUTO_UPDATE=1 brew reinstall gcc $MPI_FORMULA gsed grep automake autoconf ||true
      if [[ "$FC" != "gfortran" ]] && [[ "$FC" == "gfortran*" ]]; then
 	 #install non default gfortran, ie gfortran-9
 	 #get version

From 6e1c9ff18cf69f282dd93c0fab9557a3474680d0 Mon Sep 17 00:00:00 2001
From: edoapra <edoardo.apra@gmail.com>
Date: Fri, 4 Oct 2024 15:34:04 -0700
Subject: [PATCH 06/11] macos-12 fixes

---
 .github/workflows/github_actions.yml | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/.github/workflows/github_actions.yml b/.github/workflows/github_actions.yml
index 91eaa3c512..d247396b69 100644
--- a/.github/workflows/github_actions.yml
+++ b/.github/workflows/github_actions.yml
@@ -257,7 +257,7 @@ jobs:
             cc: gcc
             use_libxc: 1
             xcode_version: 15.3
-          - os: macos-14
+          - os: macos-15
             experimental: true 
             mpi_impl: openmpi
             armci_network: MPI-TS
@@ -297,7 +297,7 @@ jobs:
             fc: gfortran-10
             cc: gcc-10
             use_libxc: 1
-          - os: macos-14
+          - os: macos-15
             experimental: true 
             mpi_impl: openmpi
             armci_network: MPI-PR
@@ -328,7 +328,7 @@ jobs:
             fc: gfortran-13
             blas: "accelerate"
             blas_size: 4
-          - os: macos-12
+          - os: macos-13
             experimental: true
             mpi_impl: mpich
             armci_network: MPI-PT
@@ -404,7 +404,7 @@ jobs:
             cc: gcc
             blas: "brew_openblas"
             blas_size: 4
-          - os: macos-14
+          - os: macos-15
             experimental: true
             mpi_impl: openmpi
             armci_network: MPI-TS

From d6902481f21c5645f58c9e47eea368cebc533165 Mon Sep 17 00:00:00 2001
From: edoapra <edoardo.apra@gmail.com>
Date: Fri, 4 Oct 2024 17:45:18 -0700
Subject: [PATCH 07/11] fetch external tarballs

---
 .github/workflows/github_actions.yml | 5 +++++
 travis/cache_fetch.sh                | 3 +++
 2 files changed, 8 insertions(+)

diff --git a/.github/workflows/github_actions.yml b/.github/workflows/github_actions.yml
index d247396b69..4a884d7715 100644
--- a/.github/workflows/github_actions.yml
+++ b/.github/workflows/github_actions.yml
@@ -495,6 +495,11 @@ jobs:
         if: steps.setup-cache.outputs.cache-hit == 'true'
         run: |
           ./travis/cache_fetch.sh
+      - name: get external files
+        if: steps.setup-cache.outputs.cache-hit != 'true'
+        run: |
+          mkdir -p ~/cache
+          NWCHEM_TOP=$(pwd) ./contrib/getfiles.nwchem ~/cache
       - name: compile
         id: compile
         run: |
diff --git a/travis/cache_fetch.sh b/travis/cache_fetch.sh
index f0a9b1932f..178b2707c2 100755
--- a/travis/cache_fetch.sh
+++ b/travis/cache_fetch.sh
@@ -12,3 +12,6 @@ set -v
 	  ls -lart /home/runner/work/nwchem/nwchem/src/libext/mpich/mpich/../../include || true
 	  ls -lart /home/runner/work/nwchem/nwchem/src/libext/include || true
 	  ls -lart /home/runner/work/nwchem/nwchem/src/libext/mpich || true
+	  rsync -av ~/cache/dftd3.tgz src/nwpw/nwpwlib/nwpwxc/. || true
+	  rsync -av ~/cache/OpenBLAS*gz src/libext/openblas/. || true
+          rsync -av ~/cache/scalapack*zip src/libext/scalapack/. || true

From 0a2f4ecd1ace0f189d93737bdc21347c20fe0f60 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Edoardo=20Apr=C3=A0?= <edoardo.apra@gmail.com>
Date: Mon, 7 Oct 2024 22:16:03 -0700
Subject: [PATCH 08/11] MPI-TS for MacOS

---
 .github/workflows/github_actions.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.github/workflows/github_actions.yml b/.github/workflows/github_actions.yml
index 4a884d7715..6dfeae07ca 100644
--- a/.github/workflows/github_actions.yml
+++ b/.github/workflows/github_actions.yml
@@ -331,7 +331,7 @@ jobs:
           - os: macos-13
             experimental: true
             mpi_impl: mpich
-            armci_network: MPI-PT
+            armci_network: MPI-TS
             nwchem_modules: "nwdft solvation driver"
             fc: ifort
             xcode_version: 15.4

From 83349be7c2f5e0e84c60d4879b40393ae9937aa2 Mon Sep 17 00:00:00 2001
From: edoapra <edoardo.apra@gmail.com>
Date: Tue, 8 Oct 2024 14:11:55 -0700
Subject: [PATCH 09/11] use ifort & gcc-11

---
 .github/workflows/github_actions.yml | 1 +
 travis/nwchem.bashrc                 | 4 ++--
 2 files changed, 3 insertions(+), 2 deletions(-)

diff --git a/.github/workflows/github_actions.yml b/.github/workflows/github_actions.yml
index 6dfeae07ca..2b91861d1f 100644
--- a/.github/workflows/github_actions.yml
+++ b/.github/workflows/github_actions.yml
@@ -334,6 +334,7 @@ jobs:
             armci_network: MPI-TS
             nwchem_modules: "nwdft solvation driver"
             fc: ifort
+            cc: gcc-11
             xcode_version: 15.4
           - os: ubuntu-20.04
             experimental: true
diff --git a/travis/nwchem.bashrc b/travis/nwchem.bashrc
index 335d240b9f..a5f2e3c410 100644
--- a/travis/nwchem.bashrc
+++ b/travis/nwchem.bashrc
@@ -65,8 +65,8 @@ if [[ "$FC" == "ifort" ]] || [[ "$FC" == "ifx" ]] ; then
 #force icc on macos to cross-compile x86 on arm64
 # icx not available on macos
     if [[ "$os" == "Darwin" ]]; then
-	CC=icc
-	CXX=icc
+#	CC=icc
+#	CXX=icc
 # Intel MPI not available on macos       
 #       export BUILD_MPICH=1
        unset BUILD_PLUMED

From 3a3630993cdc7fdb0ed316e379eea331c6f9c4d5 Mon Sep 17 00:00:00 2001
From: edoapra <edoardo.apra@gmail.com>
Date: Tue, 8 Oct 2024 17:10:46 -0700
Subject: [PATCH 10/11] removed ifort MacOS step

---
 .github/workflows/github_actions.yml | 8 --------
 1 file changed, 8 deletions(-)

diff --git a/.github/workflows/github_actions.yml b/.github/workflows/github_actions.yml
index 2b91861d1f..3f5b819f13 100644
--- a/.github/workflows/github_actions.yml
+++ b/.github/workflows/github_actions.yml
@@ -328,14 +328,6 @@ jobs:
             fc: gfortran-13
             blas: "accelerate"
             blas_size: 4
-          - os: macos-13
-            experimental: true
-            mpi_impl: mpich
-            armci_network: MPI-TS
-            nwchem_modules: "nwdft solvation driver"
-            fc: ifort
-            cc: gcc-11
-            xcode_version: 15.4
           - os: ubuntu-20.04
             experimental: true
             mpi_impl: mpich

From 063f49d7b2129884d365d56eaab5771c28fd9ca2 Mon Sep 17 00:00:00 2001
From: edoapra <edoardo.apra@gmail.com>
Date: Mon, 12 Aug 2024 09:56:06 -0700
Subject: [PATCH 11/11] macos: silence brew warnings

---
 travis/build_env.sh | 5 +++--
 1 file changed, 3 insertions(+), 2 deletions(-)

diff --git a/travis/build_env.sh b/travis/build_env.sh
index 8376e5508d..3bf740577a 100755
--- a/travis/build_env.sh
+++ b/travis/build_env.sh
@@ -113,7 +113,8 @@ fi
 	 brew update || true
 	 brew list open-mpi >&  /dev/null ; myexit=$?
 	 if [[ $myexit == 0 ]]; then brew unlink open-mpi || true ; fi
-	 brew reinstall mpich && brew upgrade mpich  && brew link --overwrite  mpich || true
+	 brew reinstall --quiet mpich  && brew unlink mpich && brew link mpich || true
+##	 brew reinstall --quiet mpich || true
      fi
      if [[ "$BLAS_ENV" == "brew_openblas" ]]; then
 	 brew install openblas
@@ -123,7 +124,7 @@ fi
 	 PKG_CONFIG_PATH=$HOMEBREW_PREFIX/opt/openblas/lib/pkgconfig pkg-config --libs openblas
      fi
 #  if [[ "$MPI_IMPL" == "openmpi" ]]; then
-#      HOMEBREW_NO_INSTALL_CLEANUP=1 HOMEBREW_NO_AUTO_UPDATE=1 brew install scalapack
+#      HOMEBREW_NO_INSTALL_CLEANUP=1 HOMEBREW_NO_AUTO_UPDATE=1 brew install --quiet scalapack
 #  fi
 fi
 if [[ "$os" == "Linux" ]]; then