<pre style='margin:0'>
Marcus Calhoun-Lopez (MarcusCalhoun-Lopez) pushed a commit to branch master
in repository macports-ports.
</pre>
<p><a href="https://github.com/macports/macports-ports/commit/99c78e52e8faeb0a51099a0d687ea39b210f5580">https://github.com/macports/macports-ports/commit/99c78e52e8faeb0a51099a0d687ea39b210f5580</a></p>
<pre style="white-space: pre; background: #F8F8F8">The following commit(s) were added to refs/heads/master by this push:
<span style='display:block; white-space:pre;color:#404040;'> new 99c78e5 gamess: new port
</span>99c78e5 is described below
<span style='display:block; white-space:pre;color:#808000;'>commit 99c78e52e8faeb0a51099a0d687ea39b210f5580
</span>Author: Marcus Calhoun-Lopez <mcalhoun@macports.org>
AuthorDate: Sat Nov 17 12:48:25 2018 -0700
<span style='display:block; white-space:pre;color:#404040;'> gamess: new port
</span><span style='display:block; white-space:pre;color:#404040;'>
</span><span style='display:block; white-space:pre;color:#404040;'> Fixes https://trac.macports.org/ticket/57395
</span>---
science/gamess/Portfile | 147 ++++++++++++++++++++++++++++++++
science/gamess/files/patch-comp.diff | 67 +++++++++++++++
science/gamess/files/patch-compall.diff | 22 +++++
science/gamess/files/patch-compddi.diff | 28 ++++++
science/gamess/files/patch-config.diff | 122 ++++++++++++++++++++++++++
science/gamess/files/patch-lked.diff | 44 ++++++++++
science/gamess/files/patch-rungms.diff | 15 ++++
7 files changed, 445 insertions(+)
<span style='display:block; white-space:pre;color:#808080;'>diff --git a/science/gamess/Portfile b/science/gamess/Portfile
</span>new file mode 100644
<span style='display:block; white-space:pre;color:#808080;'>index 0000000..0c6af1f
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>--- /dev/null
</span><span style='display:block; white-space:pre;background:#e0e0ff;'>+++ b/science/gamess/Portfile
</span><span style='display:block; white-space:pre;background:#e0e0e0;'>@@ -0,0 +1,147 @@
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+# -*- coding: utf-8; mode: tcl; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*- vim:fenc=utf-8:ft=tcl:et:sw=4:ts=4:sts=4
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+PortSystem 1.0
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+PortGroup compilers 1.0
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+PortGroup linear_algebra 1.0
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+PortGroup muniversal 1.0
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+name gamess
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+version 20180930
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+categories science
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+maintainers {mcalhoun @MarcusCalhoun-Lopez} openmaintainer
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+homepage https://www.msg.chem.iastate.edu/gamess/
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+master_sites http://www.msg.chem.iastate.edu/GAMESS/download/source/
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+platforms darwin
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+description a general ab initio quantum chemistry package
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+long_description The General Atomic and Molecular Electronic Structure System (GAMESS) \
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ is a general ab initio quantum chemistry package.
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+license Restrictive Nomirror
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+# there is no version number in the distname
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+distname gamess-current
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+dist_subdir ${name}_${version}
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+fetch {
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ foreach distfile ${distfiles} {
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ if {![file exists ${distpath}/${distfile}]} {
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ ui_error "MacPorts cannot download ${name} due to license restrictions."
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ ui_error "Please visit https://www.msg.chem.iastate.edu/GAMESS/License_Agreement.html"
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ ui_error "Download GAMESS from [string range ${version} 4 5]/[string range ${version} 6 7]/[string range ${version} 0 3]"
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ ui_error "Put ${distfile} in ${distpath}."
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ return -code error "missing distfiles"
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ }
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ }
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+}
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+checksums rmd160 d3db5f9e151c1792fbec5d8f865e5a48cc8cfac8 \
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ sha256 fb177614395650dc4b4baff643962cc36435ad81516aa58b74204bfe47f90605 \
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ size 95358083
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+patchfiles-append patch-config.diff \
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ patch-compddi.diff \
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ patch-comp.diff \
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ patch-compall.diff \
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ patch-lked.diff \
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ patch-rungms.diff
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+worksrcdir gamess
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+compilers.setup require_fortran
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+post-patch {
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ reinplace \
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ "s|tput clear|echo ''; echo '----------------------------------'; echo ''|g" \
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ ${worksrcpath}/config
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+}
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+if {[variant_isset accelerate]} {
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ set linear_algebra_name Accelerate
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+} elseif {[variant_isset atlas]} {
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ set linear_algebra_name atlas
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+} elseif {[variant_isset openblas]} {
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ set linear_algebra_name openblas
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+} else {
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ pre-fetch {
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ ui_error "Unknown linear algebra variant"
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ return -code error "unknown linear algebra variant"
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ }
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+}
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+post-patch {
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ copy ${worksrcpath}/rungms ${worksrcpath}/rungms_save
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+}
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+configure {
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ if {![variant_isset universal]} {
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ set test_arch ${build_arch}
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ } else {
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ set test_arch ${muniversal.current_arch}
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ }
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ if {${test_arch} eq "ppc" || ${test_arch} eq "i386"} {
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ set gms_target mac32
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ } else {
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ set gms_target mac64
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ }
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ reinplace \
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ "s|__MACPORTS_GMS_TARGET__|${gms_target}|g" \
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ ${worksrcpath}/config
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ reinplace \
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ "s|__MACPORTS_GMS_FORTRAN__|${configure.fc}|g" \
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ ${worksrcpath}/config
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ reinplace \
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ "s|__MACPORTS_GMS_MATHLIB__|${linear_algebra_name}|g" \
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ ${worksrcpath}/config
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ reinplace \
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ "s|__MACPORTS_CC__|${configure.cc}|g" \
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ ${worksrcpath}/ddi/compddi \
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ ${worksrcpath}/compall
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ reinplace \
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ "s|__MACPORTS_SDK__|${configure.sdkroot}|g" \
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ ${worksrcpath}/compall
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ reinplace \
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ "s|__MACPORTS_LINEAR_ALGEBRA__|-L${prefix}/lib ${linalglib}|g" \
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ ${worksrcpath}/lked
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ reinplace \
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ "s|__MACPORTS_GMSPATH__|${worksrcpath}|g" \
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ ${worksrcpath}/rungms
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ reinplace \
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ "s|__MACPORTS_GMSPATH__|${prefix}/libexec/${name}|g" \
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ ${worksrcpath}/rungms_save
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ system -W ${build.dir} "./config"
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+}
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+build {
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ system -W ${build.dir} "./ddi/compddi"
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ move ${build.dir}/ddi/ddikick.x ${build.dir}
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ system -W ${build.dir} "./compall"
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ system -W ${build.dir} "./lked"
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+}
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+destroot {
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ xinstall -d -m 0755 ${destroot}${prefix}/libexec/${name}
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ xinstall -d -m 0755 ${destroot}${prefix}/libexec/${name}/tools
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ foreach bin {gamess.00.x gms-files.csh ddikick.x tools/remd.csh} {
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ xinstall -m 0755 ${build.dir}/${bin} ${destroot}${prefix}/libexec/${name}/${bin}
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ }
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ xinstall -m 0755 ${build.dir}/rungms_save ${destroot}${prefix}/libexec/${name}/rungms
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ ln -s ${prefix}/libexec/${name}/rungms ${destroot}${prefix}/bin/rungms
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ copy ${build.dir}/auxdata ${destroot}${prefix}/libexec/${name}
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ xinstall -d -m 0755 ${destroot}${prefix}/share/${name}/doc
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ xinstall -m 0644 {*}[glob ${build.dir}/*.DOC] ${destroot}${prefix}/share/${name}/doc
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ xinstall -m 0644 {*}[glob ${build.dir}/qmnuc/*.DOC] ${destroot}${prefix}/share/${name}/doc
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+}
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+test.run yes
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+test {
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ system -W ${build.dir} "./runall 00"
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ system -W ${build.dir} "./tests/standard/checktst"
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+}
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+livecheck.type none
</span><span style='display:block; white-space:pre;color:#808080;'>diff --git a/science/gamess/files/patch-comp.diff b/science/gamess/files/patch-comp.diff
</span>new file mode 100644
<span style='display:block; white-space:pre;color:#808080;'>index 0000000..2e598a7
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>--- /dev/null
</span><span style='display:block; white-space:pre;background:#e0e0ff;'>+++ b/science/gamess/files/patch-comp.diff
</span><span style='display:block; white-space:pre;background:#e0e0e0;'>@@ -0,0 +1,67 @@
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+--- comp.orig 2018-09-30 20:45:26.000000000 -0700
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++++ comp 2018-11-03 10:04:45.000000000 -0700
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+@@ -2284,7 +2284,7 @@
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ #
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ # see the 'linux64' section's notes about gfortran.
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ #
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+- case gfortran:
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++ case *gfortran*:
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ #
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ set OPT='-O2'
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ if ($MODULE == zheev) set OPT='-O0' # defensive compiling
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+@@ -2331,11 +2331,28 @@
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ case 5.1:
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ case 5.2:
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ case 5.3:
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++ case 5.4:
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++ case 5.5:
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ if ($MODULE == cosmo) set OPT='-O0'
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ if ($MODULE == dcscf) set OPT='-O0'
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ if ($MODULE == tddgrd) set OPT='-O0'
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ set EXTRAOPT="$EXTRAOPT -w -fno-aggressive-loop-optimizations"
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ breaksw
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++ case 6.1:
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++ case 6.2:
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++ case 6.3:
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++ case 6.4:
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++ set EXTRAOPT="$EXTRAOPT -w -fno-aggressive-loop-optimizations -funconstrained-commons"
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++ breaksw
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++ case 7.1:
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++ case 7.2:
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++ case 7.3:
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++ set EXTRAOPT="$EXTRAOPT -w -fno-aggressive-loop-optimizations -funconstrained-commons"
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++ breaksw
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++ case 8.1:
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++ case 8.2:
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++ set EXTRAOPT="$EXTRAOPT -w -fno-aggressive-loop-optimizations -funconstrained-commons"
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++ breaksw
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ default:
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ echo Unrecognized gfortran version for mac32
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ exit 4
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+@@ -2343,7 +2360,7 @@
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ endsw
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ set echo
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+- gfortran -c $OPT $EXTRAOPT $MODULE_F
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++ $GMS_FORTRAN -c -m32 $OPT $EXTRAOPT $MODULE_F
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ unset echo
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ breaksw
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+@@ -2401,7 +2418,7 @@
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ #
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ # see the 'linux64' section's notes about gfortran.
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ #
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+- case gfortran:
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++ case *gfortran*:
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ #
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ set OPT='-O2'
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ if ($MODULE == zheev) set OPT='-O0' # defensive compiling
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+@@ -2477,7 +2494,7 @@
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ endsw
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ set echo
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+- gfortran -c -m64 -fdefault-integer-8 $OPT $EXTRAOPT $MODULE_F
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++ $GMS_FORTRAN -c -m64 -fdefault-integer-8 $OPT $EXTRAOPT $MODULE_F
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ unset echo
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ breaksw
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+
</span><span style='display:block; white-space:pre;color:#808080;'>diff --git a/science/gamess/files/patch-compall.diff b/science/gamess/files/patch-compall.diff
</span>new file mode 100644
<span style='display:block; white-space:pre;color:#808080;'>index 0000000..f446248
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>--- /dev/null
</span><span style='display:block; white-space:pre;background:#e0e0ff;'>+++ b/science/gamess/files/patch-compall.diff
</span><span style='display:block; white-space:pre;background:#e0e0e0;'>@@ -0,0 +1,22 @@
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+--- compall.orig 2018-09-30 20:45:26.000000000 -0700
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++++ compall 2018-11-03 10:10:24.000000000 -0700
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+@@ -46,7 +46,7 @@
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ # 1. we must select the name of the C compiler, often it is simply cc.
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ # 2. we must select the #define in zunix.c, and maybe other options.
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ #
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+-set CCOMP=cc
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++set CCOMP=__MACPORTS_CC__
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ if (($TARGET == axp64) && (`uname` == Linux)) set CCOMP='ccc'
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ if ($TARGET == cray-xd1) set CCOMP='pgcc -fastsse -tp amd64'
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ if ($TARGET == fuji-pp32) set CCOMP='fcc'
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+@@ -109,8 +109,8 @@
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ if ($GMS_PHI == knl && $CCOMP == icc ) set extraflags='-DLINUX64 -xMIC-AVX512'
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ if ($GMS_PHI == knc && $CCOMP == icc ) set extraflags='-DLINUX64 -mmic'
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ endif
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+-if ($TARGET == mac32) set extraflags='-DLINUX32'
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+-if ($TARGET == mac64) set extraflags='-DLINUX64 -m64 -I/usr/include/malloc'
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++if ($TARGET == mac32) set extraflags='-DLINUX32 -m32'
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++if ($TARGET == mac64) set extraflags='-DLINUX64 -m64 -I__MACPORTS_SDK__/usr/include/malloc'
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ if ($TARGET == necsx) set extraflags='-DNECSX -size_t64'
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ if ($TARGET == sgi32) set extraflags='-DSGI32 -n32'
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ if ($TARGET == sgi64) set extraflags='-DSGI64 -64'
</span><span style='display:block; white-space:pre;color:#808080;'>diff --git a/science/gamess/files/patch-compddi.diff b/science/gamess/files/patch-compddi.diff
</span>new file mode 100644
<span style='display:block; white-space:pre;color:#808080;'>index 0000000..6948d93
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>--- /dev/null
</span><span style='display:block; white-space:pre;background:#e0e0ff;'>+++ b/science/gamess/files/patch-compddi.diff
</span><span style='display:block; white-space:pre;background:#e0e0e0;'>@@ -0,0 +1,28 @@
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+--- ddi/compddi.orig 2018-08-07 00:23:20.000000000 -0700
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++++ ddi/compddi 2018-11-03 10:13:34.000000000 -0700
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+@@ -832,8 +832,8 @@
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ set FORTRAN=$GMS_FORTRAN # will be g77 or gfortran
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+- set CC = 'gcc'
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+- set CFLAGS = "-DMACOSX"
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++ set CC = '__MACPORTS_CC__'
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++ set CFLAGS = "-DMACOSX -m32"
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ if ($TARGET == mac64) set CFLAGS = "-DLINUX -m64"
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ set CFLAGS = "$CFLAGS -O3 -fstrict-aliasing -I./"
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ set CLIBS = "-lpthread"
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+@@ -847,12 +847,12 @@
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ set FORT_FLAGS = '-O2'
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ set FORT_LIBS = ''
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ breaksw
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+- case gfortran:
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++ case *gfortran*:
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ set CFLAGS = "$CFLAGS -Dgetarg_=_gfortran_getarg_i4"
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ set CFLAGS = "$CFLAGS -Diargc_=_gfortran_iargc"
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ set NumUS=1
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ set FORT_FLAGS = '-O2 -m64 -fdefault-integer-8 -std=legacy'
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+- if ($TARGET == mac32) set FORT_FLAGS = '-O2 -std=legacy'
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++ if ($TARGET == mac32) set FORT_FLAGS = '-O2 -m32 -std=legacy'
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ set FORT_LIBS = ''
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ breaksw
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ default:
</span><span style='display:block; white-space:pre;color:#808080;'>diff --git a/science/gamess/files/patch-config.diff b/science/gamess/files/patch-config.diff
</span>new file mode 100644
<span style='display:block; white-space:pre;color:#808080;'>index 0000000..b2e86f4
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>--- /dev/null
</span><span style='display:block; white-space:pre;background:#e0e0ff;'>+++ b/science/gamess/files/patch-config.diff
</span><span style='display:block; white-space:pre;background:#e0e0e0;'>@@ -0,0 +1,122 @@
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+--- config.orig 2018-09-30 20:45:26.000000000 -0700
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++++ config 2018-11-03 09:57:40.000000000 -0700
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+@@ -85,7 +85,7 @@
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ echo "use the word 'type' to indicate it is a command for the other window."
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ echo " "
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ echo -n "After the new window is open, please hit <return> to go on."
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+-set reply=$<
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++set reply=''
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ tput clear
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ #
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ echo " GAMESS can compile on the following 32 bit or 64 bit machines:"
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+@@ -112,7 +112,7 @@
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ echo "winazure - Windows Azure Cloud Platform running Windows 64-bit"
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ echo " type 'uname -a' to partially clarify your computer's flavor."
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ echo -n "please enter your target machine name: "
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+-set GMS_TARGET=$<
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++set GMS_TARGET=__MACPORTS_GMS_TARGET__
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ tput clear
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ # A number of targets in compall/comp/lked are omitted above.
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+@@ -132,7 +132,7 @@
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ echo "most probably the correct answer is `pwd`"
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ echo " "
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ echo -n "GAMESS directory? [`pwd`] "
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+-set GMS_PATH=$<
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++set GMS_PATH=''
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ if (null$GMS_PATH == null) set GMS_PATH=`pwd`
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ #
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ if (-d $GMS_PATH) then
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+@@ -151,7 +151,7 @@
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ echo "This may be the same location as the GAMESS directory."
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ echo " "
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ echo -n "GAMESS build directory? [`pwd`] "
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+-set GMS_BUILD_DIR=$<
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++set GMS_BUILD_DIR=''
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ if (null$GMS_BUILD_DIR == null) set GMS_BUILD_DIR=`pwd`
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ if (! -d $GMS_BUILD_DIR) then
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ mkdir $GMS_BUILD_DIR
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+@@ -175,7 +175,7 @@
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ echo "for example: gamess.00.x"
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ echo ""
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ echo -n "Version? [00] "
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+-set GMS_VERSION=$<
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++set GMS_VERSION=''
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ if(null$GMS_VERSION == null) set GMS_VERSION=00
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ tput clear
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+@@ -846,8 +846,8 @@
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ echo "can be found in the 'comp' script."
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ echo " "
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+-set GMS_FORTRAN=gfortran
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+-set GMS_MATHLIB=vecLib
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++set GMS_FORTRAN=__MACPORTS_GMS_FORTRAN__
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++set GMS_MATHLIB=__MACPORTS_GMS_MATHLIB__
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ #
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ echo "Please type 'gfortran -dumpversion' or else 'gfortran -v' to"
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ echo "detect the version number of your gfortran."
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+@@ -857,7 +857,7 @@
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ echo "but it is really your gfortran version."
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ echo " "
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ echo -n "Please enter only the first decimal place, such as 4.6 or 4.8: "
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+-set GMS_GFORTRAN_VERNO=$<
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++set GMS_GFORTRAN_VERNO=`$GMS_FORTRAN -dumpversion`; set GMS_GFORTRAN_VERNO=$GMS_GFORTRAN_VERNO:r
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ #
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ switch ($GMS_GFORTRAN_VERNO)
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ case 4.1:
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+@@ -942,7 +942,7 @@
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ echo "since Lion versions up to at least 10.7.6 fail to work."
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ echo "Some slow but correct FORTRAN code will be used instead,"
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ echo "with significant performance penalties for MP2/CC runs."
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+- set GMS_MATHLIB='blas.o'
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++ #set GMS_MATHLIB='blas.o'
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ breaksw
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ case 10.8:
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ case 10.9:
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+@@ -951,7 +951,7 @@
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ echo " "
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ echo "This target will use the Accelerate framework math library,"
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ echo "which is standard in OS X."
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+- set GMS_MATHLIB=Accelerate
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++ #set GMS_MATHLIB=Accelerate
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ breaksw
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ default:
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ echo " "
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+@@ -969,6 +969,9 @@
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ echo "If this is 10.5 or higher, consider switching to 'mac64',"
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ echo "by rerunning this 'config' step, for 'mac64' intead of 'mac32'."
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ echo " "
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++ set FORTRAN_EXTRA_FLAGS="-m32"
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++ else
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++ set FORTRAN_EXTRA_FLAGS="-m64"
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ endif
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ breaksw
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ # thus ends a passage common to both mac32/mac64.
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+@@ -1302,7 +1305,7 @@
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ #
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ echo " "
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ echo -n "please hit <return> to compile the GAMESS source code activator "
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+-set reply=$<
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++set reply=''
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ tput clear
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ #
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ if (-e tools/actvte.code) then
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+@@ -1361,7 +1364,7 @@
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ breaksw
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ default:
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ set echo
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+- $GMS_FORTRAN -o $GMS_BUILD_DIR/tools/actvte.x actvte.f
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++ $GMS_FORTRAN $FORTRAN_EXTRA_FLAGS -o $GMS_BUILD_DIR/tools/actvte.x actvte.f
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ unset echo
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ breaksw
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ endsw
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+@@ -1660,7 +1663,7 @@
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ echo ""
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ #
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ echo -n "Optional: Build Michigan State University CCT3 & CCSD3A methods? (yes/no): "
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+-set reply=$<
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++set reply='no'
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ if ($reply == no) then
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ set GMS_MSUCC=false
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ else
</span><span style='display:block; white-space:pre;color:#808080;'>diff --git a/science/gamess/files/patch-lked.diff b/science/gamess/files/patch-lked.diff
</span>new file mode 100644
<span style='display:block; white-space:pre;color:#808080;'>index 0000000..39ba94c
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>--- /dev/null
</span><span style='display:block; white-space:pre;background:#e0e0ff;'>+++ b/science/gamess/files/patch-lked.diff
</span><span style='display:block; white-space:pre;background:#e0e0e0;'>@@ -0,0 +1,44 @@
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+--- lked.orig 2018-09-30 20:45:26.000000000 -0700
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++++ lked 2018-11-03 10:18:14.000000000 -0700
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+@@ -733,38 +733,14 @@
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ set LDR=$GMS_FORTRAN
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ switch ($TARGET)
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ case mac32:
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+- set LDOPTS='-Wl,-multiply_defined -Wl,suppress'
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++ set LDOPTS='-m32'
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ set BLAS=' '
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+- set LIBRARIES='-Wl,-framework -Wl,vecLib -lSystemStubs'
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++ set LIBRARIES='__MACPORTS_LINEAR_ALGEBRA__'
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ breaksw
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ case mac64:
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ set LDOPTS='-m64'
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+- switch ($GMS_MAC_OSX_VERNO)
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+- case 10.4:
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+- case 10.5:
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+- set BLAS='blaswrap.o'
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+- set LIBRARIES='-Wl,-framework -Wl,vecLib -lSystemStubs'
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+- breaksw
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+- case 10.6:
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+- set BLAS=' '
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+- set LIBRARIES='-Wl,-framework -Wl,vecLib'
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+- breaksw
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+-# work around busted vecLib in Lion
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+- case 10.7:
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+- echo "Lion's vecLib seems to be broken."
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+- echo "Therefore, using a slow FORTRAN equivalent for BLAS."
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+- set BLAS='blas.o'
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+- set LIBRARIES=' '
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+- breaksw
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+-# the Accelerate framework is the new standard
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+- case 10.8:
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+- case 10.9:
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+- case 10.10:
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+- case 10.11:
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ set BLAS=' '
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+- set LIBRARIES='-Wl,-framework -Wl,Accelerate'
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+- breaksw
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+- endsw
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++ set LIBRARIES='__MACPORTS_LINEAR_ALGEBRA__'
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ breaksw
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ endsw
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ set VECTOR=' '
</span><span style='display:block; white-space:pre;color:#808080;'>diff --git a/science/gamess/files/patch-rungms.diff b/science/gamess/files/patch-rungms.diff
</span>new file mode 100644
<span style='display:block; white-space:pre;color:#808080;'>index 0000000..dd9791a
</span><span style='display:block; white-space:pre;background:#ffe0e0;'>--- /dev/null
</span><span style='display:block; white-space:pre;background:#e0e0ff;'>+++ b/science/gamess/files/patch-rungms.diff
</span><span style='display:block; white-space:pre;background:#e0e0e0;'>@@ -0,0 +1,15 @@
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+--- rungms.orig 2018-09-30 20:45:26.000000000 -0700
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++++ rungms 2018-11-03 12:41:09.000000000 -0700
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+@@ -61,9 +61,9 @@
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ # See also a very old LoadLeveler "ll-gms" for some IBM systems.
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ #
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ set TARGET=sockets
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+-set SCR=/scr1/$USER
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+-set USERSCR=~/gamess-devv
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+-set GMSPATH=~/gamess-devv
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++set SCR=`pwd`
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++set USERSCR=`pwd`
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>++set GMSPATH=__MACPORTS_GMSPATH__
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ #
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ set JOB=$1 # name of the input file xxx.inp, give only the xxx part
</span><span style='display:block; white-space:pre;background:#e0ffe0;'>+ set VERNO=$2 # revision number of the executable created by 'lked' step
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