[fink:package-submissions] Re: #5032 gromacs/gromacs-mpi-2016.4-1
Daniel Macks via Fink-tracker <[email protected]> Thu, 26 Apr 2018 14:06:01 -0000
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That's the same thing I said a year previously, which led to the since-stalled tracker submission for an older new-version.
https://sourceforge.net/p/fink/package-submissions/4840/
---
** [package-submissions:#5032] gromacs/gromacs-mpi-2016.4-1**
**Status:** open
**Group:** Awaiting_Update_from_Submitter
**Labels:** sci Updated libversion
**Created:** Mon Oct 02, 2017 10:10 PM UTC by Jack Howarth
**Last Updated:** Tue Oct 03, 2017 06:07 PM UTC
**Owner:** nobody
The folllowing info file changes for gromacs.info and gromacs-mpi.info updates the package to the current 2016.4 release and uses the llvm-clang, libomp-dev and libomp-shlibs packages now available from llvm50.
~~~
Index: gromacs.info
===================================================================
RCS file: /cvsroot/fink/dists/10.9-libcxx/stable/main/finkinfo/sci/gromacs.info,v
retrieving revision 1.6
diff -u -r1.6 gromacs.info
--- gromacs.info 7 Oct 2016 03:47:33 -0000 1.6
+++ gromacs.info 2 Oct 2017 22:08:46 -0000
@@ -1,16 +1,19 @@
Package: gromacs
-Version: 5.1.4
-Revision: 100
+Version: 2016.4
+Revision: 1
Depends: <<
- gromacs1-shlibs (= %v-%r),
- fftw3-shlibs (>= 3.3.4-2),
+ libomp-shlibs,
+ gromacs2-shlibs (= %v-%r),
+ hwloc-shlibs,
+ fftw3-shlibs (>= 3.3.5-1),
x11
<<
BuildDepends: <<
- boost1.58-nopython,
+ llvm-clang,
cmake,
- fftw3 (>= 3.3.4-2),
+ fftw3 (>= 3.3.5-1),
fink (>= 0.38.3),
+ hwloc,
x11-dev
<<
BuildConflicts: <<
@@ -34,10 +37,12 @@
<<
BuildDependsOnly: False
UseMaxBuildJobs: True
+SetCC: llvm-clang
+SetCXX: llvm-clang++
Source: mirror:custom:%n-%v.tar.gz
-Source-MD5: ba2e34d59b3982603b4935d650c08040
+Source-MD5: 19c8b5c85f3ec62df79d2249a3c272f8
PatchFile: %n-libxml2.patch
-PatchFile-MD5: 463830df2e50a5df49bbbd4b0299cf76
+PatchFile-MD5: f4ae00e6b57c404fcd7d69bf677f7f28
CustomMirror: <<
Primary: ftp://ftp.gromacs.org/pub/gromacs/
<<
@@ -45,7 +50,7 @@
InfoTest: <<
TestSuiteSize: medium
TestSource: http://gerrit.gromacs.org/download/regressiontests-%v.tar.gz
- TestSource-MD5: 8902358ab19343f17997d1bf85f8e69c
+ TestSource-MD5: a1625834b5fc8dcde0b8ef40cf64910c
TestScript: <<
mv ../regressiontests-%v regressiontests-%v
# sentinel-file is flag to activate testing during InstallScript as
@@ -66,9 +71,8 @@
InstallScript: <<
#!/bin/bash -efv
cd build
-CMAKE_OPTIONS="-DBOOST_ROOT=%p/opt/boost-1_58 \
+CMAKE_OPTIONS="-DGMX_FFT_LIBRARY=fftw3 \
-DGMX_GPU="OFF" \
- -DGMX_FFT_LIBRARY=fftw3 \
-DGMX_X11="ON" \
-DCMAKE_INSTALL_NAME_DIR=%p/lib \
-DCMAKE_INSTALL_PREFIX=%p \
@@ -104,25 +108,27 @@
make install DESTDIR=%d
<<
SplitOff: <<
-Package: gromacs1-shlibs
+Package: gromacs2-shlibs
Depends: <<
- fftw3-shlibs (>= 3.3.4-2),
+ libomp-shlibs,
+ fftw3-shlibs (>= 3.3.5-1),
+ hwloc-shlibs,
x11
<<
Files: <<
- lib/libgromacs.1*.dylib
- lib/libgromacs_d.1*.dylib
+ lib/libgromacs.2*.dylib
+ lib/libgromacs_d.2*.dylib
<<
Shlibs: <<
- @rpath/libgromacs.1.dylib 1.0.0 %n (>= 5.1-1)
- @rpath/libgromacs_d.1.dylib 1.0.0 %n (>= 5.1-1)
+ @rpath/libgromacs.2.dylib 2.0.0 %n (>= 2016-1)
+ @rpath/libgromacs_d.2.dylib 2.0.0 %n (>= 2016-1)
<<
DocFiles: AUTHORS COPYING README
<<
SplitOff2: <<
Package: %N-dev
Depends: <<
- gromacs1-shlibs (= %v-%r)
+ gromacs2-shlibs (= %v-%r)
<<
Conflicts: <<
gromacs (<= 4.6-1),
~~~
and
~~~
Index: gromacs-mpi.info
===================================================================
RCS file: /cvsroot/fink/dists/10.9-libcxx/stable/main/finkinfo/sci/gromacs-mpi.info,v
retrieving revision 1.6
diff -u -r1.6 gromacs-mpi.info
--- gromacs-mpi.info 7 Oct 2016 03:47:33 -0000 1.6
+++ gromacs-mpi.info 2 Oct 2017 22:08:46 -0000
@@ -1,17 +1,20 @@
Package: gromacs-mpi
-Version: 5.1.4
-Revision: 100
+Version: 2016.4
+Revision: 1
Depends: <<
- gromacs1-mpi-shlibs (= %v-%r),
- fftw3-shlibs (>= 3.3.4-2),
+ libomp-shlibs,
+ gromacs2-mpi-shlibs (= %v-%r),
+ fftw3-shlibs (>= 3.3.5-1),
+ hwloc-shlibs,
openmpi (>= 1.10.0-1),
x11
<<
BuildDepends: <<
- boost1.58-nopython,
+ llvm-clang,
cmake,
- fftw3 (>= 3.3.4-2),
+ fftw3 (>= 3.3.5-1),
fink (>= 0.38.3),
+ hwloc,
openmpi (>= 1.10.0-1),
x11-dev
<<
@@ -36,10 +39,12 @@
<<
BuildDependsOnly: False
UseMaxBuildJobs: True
+SetCC: llvm-clang
+SetCXX: llvm-clang++
Source: mirror:custom:gromacs-%v.tar.gz
-Source-MD5: ba2e34d59b3982603b4935d650c08040
+Source-MD5: 19c8b5c85f3ec62df79d2249a3c272f8
PatchFile: gromacs-libxml2.patch
-PatchFile-MD5: 463830df2e50a5df49bbbd4b0299cf76
+PatchFile-MD5: f4ae00e6b57c404fcd7d69bf677f7f28
CustomMirror: <<
Primary: ftp://ftp.gromacs.org/pub/gromacs/
<<
@@ -47,7 +52,7 @@
InfoTest: <<
TestSuiteSize: medium
TestSource: http://gerrit.gromacs.org/download/regressiontests-%v.tar.gz
- TestSource-MD5: 8902358ab19343f17997d1bf85f8e69c
+ TestSource-MD5: a1625834b5fc8dcde0b8ef40cf64910c
TestScript: <<
mv ../regressiontests-%v regressiontests-%v
# sentinel-file is flag to activate testing during InstallScript as
@@ -68,9 +73,8 @@
InstallScript: <<
#!/bin/bash -efv
cd build
-CMAKE_OPTIONS="-DBOOST_ROOT=%p/opt/boost-1_58 \
+CMAKE_OPTIONS="-DGMX_FFT_LIBRARY=fftw3 \
-DGMX_GPU="OFF" \
- -DGMX_FFT_LIBRARY=fftw3 \
-DGMX_X11="ON" \
-DGMX_MPI="ON" \
-DCMAKE_INSTALL_NAME_DIR=%p/lib \
@@ -108,26 +112,28 @@
make install DESTDIR=%d
<<
SplitOff: <<
-Package: gromacs1-mpi-shlibs
+Package: gromacs2-mpi-shlibs
Depends: <<
- fftw3-shlibs (>= 3.3.4-2),
+ libomp-shlibs,
+ fftw3-shlibs (>= 3.3.5-1),
+ hwloc-shlibs,
openmpi-shlibs (>= 1.10.0-1),
x11
<<
Files: <<
- lib/libgromacs_mpi.1*.dylib
- lib/libgromacs_mpi_d.1*.dylib
+ lib/libgromacs_mpi.2*.dylib
+ lib/libgromacs_mpi_d.2*.dylib
<<
Shlibs: <<
- @rpath/libgromacs_mpi.1.dylib 1.0.0 %n (>= 5.1-1)
- @rpath/libgromacs_mpi_d.1.dylib 1.0.0 %n (>= 5.1-1)
+ @rpath/libgromacs_mpi.2.dylib 2.0.0 %n (>= 2016-1)
+ @rpath/libgromacs_mpi_d.2.dylib 2.0.0 %n (>= 2016-1)
<<
DocFiles: AUTHORS COPYING README
<<
SplitOff2: <<
Package: %N-dev
Depends: <<
- gromacs1-mpi-shlibs (= %v-%r)
+ gromacs2-mpi-shlibs (= %v-%r)
<<
Conflicts: <<
gromacs (<= 4.6-1),
~~~
Tested on 10.13 with 'fink -m'.
---
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<div class="markdown_content"><p>That's the same thing I said a year previously, which led to the since-stalled tracker submission for an older new-version.</p>
<p><a href="https://sourceforge.net/p/fink/package-submissions/4840/">https://sourceforge.net/p/fink/package-submissions/4840/</a></p>
<hr/>
<p><strong> <a class="alink" href="https://sourceforge.net/p/fink/package-submissions/5032/">[package-submissions:#5032]</a> gromacs/gromacs-mpi-2016.4-1</strong></p>
<p><strong>Status:</strong> open<br/>
<strong>Group:</strong> Awaiting_Update_from_Submitter<br/>
<strong>Labels:</strong> sci Updated libversion <br/>
<strong>Created:</strong> Mon Oct 02, 2017 10:10 PM UTC by Jack Howarth<br/>
<strong>Last Updated:</strong> Tue Oct 03, 2017 06:07 PM UTC<br/>
<strong>Owner:</strong> nobody</p>
<p>The folllowing info file changes for gromacs.info and gromacs-mpi.info updates the package to the current 2016.4 release and uses the llvm-clang, libomp-dev and libomp-shlibs packages now available from llvm50.</p>
<div class="codehilite"><pre><span></span><span class="gh">Index: gromacs.info</span>
<span class="gh">===================================================================</span>
RCS file: /cvsroot/fink/dists/10.9-libcxx/stable/main/finkinfo/sci/gromacs.info,v
retrieving revision 1.6
<span class="gh">diff -u -r1.6 gromacs.info</span>
<span class="gd">--- gromacs.info 7 Oct 2016 03:47:33 -0000 1.6</span>
<span class="gi">+++ gromacs.info 2 Oct 2017 22:08:46 -0000</span>
<span class="gu">@@ -1,16 +1,19 @@</span>
Package: gromacs
<span class="gd">-Version: 5.1.4</span>
<span class="gd">-Revision: 100</span>
<span class="gi">+Version: 2016.4</span>
<span class="gi">+Revision: 1</span>
Depends: <<
<span class="gd">- gromacs1-shlibs (= %v-%r),</span>
<span class="gd">- fftw3-shlibs (>= 3.3.4-2),</span>
<span class="gi">+ libomp-shlibs,</span>
<span class="gi">+ gromacs2-shlibs (= %v-%r),</span>
<span class="gi">+ hwloc-shlibs,</span>
<span class="gi">+ fftw3-shlibs (>= 3.3.5-1),</span>
x11
<<
BuildDepends: <<
<span class="gd">- boost1.58-nopython,</span>
<span class="gi">+ llvm-clang,</span>
cmake,
<span class="gd">- fftw3 (>= 3.3.4-2),</span>
<span class="gi">+ fftw3 (>= 3.3.5-1),</span>
fink (>= 0.38.3),
<span class="gi">+ hwloc,</span>
x11-dev
<<
BuildConflicts: <<
<span class="gu">@@ -34,10 +37,12 @@</span>
<<
BuildDependsOnly: False
UseMaxBuildJobs: True
<span class="gi">+SetCC: llvm-clang</span>
<span class="gi">+SetCXX: llvm-clang++</span>
Source: mirror:custom:%n-%v.tar.gz
<span class="gd">-Source-MD5: ba2e34d59b3982603b4935d650c08040</span>
<span class="gi">+Source-MD5: 19c8b5c85f3ec62df79d2249a3c272f8</span>
PatchFile: %n-libxml2.patch
<span class="gd">-PatchFile-MD5: 463830df2e50a5df49bbbd4b0299cf76</span>
<span class="gi">+PatchFile-MD5: f4ae00e6b57c404fcd7d69bf677f7f28 </span>
CustomMirror: <<
Primary: ftp://ftp.gromacs.org/pub/gromacs/
<<
<span class="gu">@@ -45,7 +50,7 @@</span>
InfoTest: <<
TestSuiteSize: medium
TestSource: http://gerrit.gromacs.org/download/regressiontests-%v.tar.gz
<span class="gd">- TestSource-MD5: 8902358ab19343f17997d1bf85f8e69c</span>
<span class="gi">+ TestSource-MD5: a1625834b5fc8dcde0b8ef40cf64910c</span>
TestScript: <<
mv ../regressiontests-%v regressiontests-%v
# sentinel-file is flag to activate testing during InstallScript as
<span class="gu">@@ -66,9 +71,8 @@</span>
InstallScript: <<
#!/bin/bash -efv
cd build
<span class="gd">-CMAKE_OPTIONS="-DBOOST_ROOT=%p/opt/boost-1_58 \</span>
<span class="gi">+CMAKE_OPTIONS="-DGMX_FFT_LIBRARY=fftw3 \</span>
-DGMX_GPU="OFF" \
<span class="gd">- -DGMX_FFT_LIBRARY=fftw3 \</span>
-DGMX_X11="ON" \
-DCMAKE_INSTALL_NAME_DIR=%p/lib \
-DCMAKE_INSTALL_PREFIX=%p \
<span class="gu">@@ -104,25 +108,27 @@</span>
make install DESTDIR=%d
<<
SplitOff: <<
<span class="gd">-Package: gromacs1-shlibs</span>
<span class="gi">+Package: gromacs2-shlibs</span>
Depends: <<
<span class="gd">- fftw3-shlibs (>= 3.3.4-2),</span>
<span class="gi">+ libomp-shlibs,</span>
<span class="gi">+ fftw3-shlibs (>= 3.3.5-1),</span>
<span class="gi">+ hwloc-shlibs,</span>
x11
<<
Files: <<
<span class="gd">- lib/libgromacs.1*.dylib</span>
<span class="gd">- lib/libgromacs_d.1*.dylib</span>
<span class="gi">+ lib/libgromacs.2*.dylib</span>
<span class="gi">+ lib/libgromacs_d.2*.dylib</span>
<<
Shlibs: <<
<span class="gd">- @rpath/libgromacs.1.dylib 1.0.0 %n (>= 5.1-1)</span>
<span class="gd">- @rpath/libgromacs_d.1.dylib 1.0.0 %n (>= 5.1-1)</span>
<span class="gi">+ @rpath/libgromacs.2.dylib 2.0.0 %n (>= 2016-1)</span>
<span class="gi">+ @rpath/libgromacs_d.2.dylib 2.0.0 %n (>= 2016-1)</span>
<<
DocFiles: AUTHORS COPYING README
<<
SplitOff2: <<
Package: %N-dev
Depends: <<
<span class="gd">- gromacs1-shlibs (= %v-%r)</span>
<span class="gi">+ gromacs2-shlibs (= %v-%r)</span>
<<
Conflicts: <<
gromacs (<= 4.6-1),
</pre></div>
<p>and</p>
<div class="codehilite"><pre><span></span><span class="gh">Index: gromacs-mpi.info</span>
<span class="gh">===================================================================</span>
RCS file: /cvsroot/fink/dists/10.9-libcxx/stable/main/finkinfo/sci/gromacs-mpi.info,v
retrieving revision 1.6
<span class="gh">diff -u -r1.6 gromacs-mpi.info</span>
<span class="gd">--- gromacs-mpi.info 7 Oct 2016 03:47:33 -0000 1.6</span>
<span class="gi">+++ gromacs-mpi.info 2 Oct 2017 22:08:46 -0000</span>
<span class="gu">@@ -1,17 +1,20 @@</span>
Package: gromacs-mpi
<span class="gd">-Version: 5.1.4</span>
<span class="gd">-Revision: 100</span>
<span class="gi">+Version: 2016.4</span>
<span class="gi">+Revision: 1</span>
Depends: <<
<span class="gd">- gromacs1-mpi-shlibs (= %v-%r),</span>
<span class="gd">- fftw3-shlibs (>= 3.3.4-2),</span>
<span class="gi">+ libomp-shlibs,</span>
<span class="gi">+ gromacs2-mpi-shlibs (= %v-%r),</span>
<span class="gi">+ fftw3-shlibs (>= 3.3.5-1),</span>
<span class="gi">+ hwloc-shlibs,</span>
openmpi (>= 1.10.0-1),
x11
<<
BuildDepends: <<
<span class="gd">- boost1.58-nopython,</span>
<span class="gi">+ llvm-clang,</span>
cmake,
<span class="gd">- fftw3 (>= 3.3.4-2),</span>
<span class="gi">+ fftw3 (>= 3.3.5-1),</span>
fink (>= 0.38.3),
<span class="gi">+ hwloc,</span>
openmpi (>= 1.10.0-1),
x11-dev
<<
<span class="gu">@@ -36,10 +39,12 @@</span>
<<
BuildDependsOnly: False
UseMaxBuildJobs: True
<span class="gi">+SetCC: llvm-clang</span>
<span class="gi">+SetCXX: llvm-clang++</span>
Source: mirror:custom:gromacs-%v.tar.gz
<span class="gd">-Source-MD5: ba2e34d59b3982603b4935d650c08040</span>
<span class="gi">+Source-MD5: 19c8b5c85f3ec62df79d2249a3c272f8</span>
PatchFile: gromacs-libxml2.patch
<span class="gd">-PatchFile-MD5: 463830df2e50a5df49bbbd4b0299cf76</span>
<span class="gi">+PatchFile-MD5: f4ae00e6b57c404fcd7d69bf677f7f28</span>
CustomMirror: <<
Primary: ftp://ftp.gromacs.org/pub/gromacs/
<<
<span class="gu">@@ -47,7 +52,7 @@</span>
InfoTest: <<
TestSuiteSize: medium
TestSource: http://gerrit.gromacs.org/download/regressiontests-%v.tar.gz
<span class="gd">- TestSource-MD5: 8902358ab19343f17997d1bf85f8e69c</span>
<span class="gi">+ TestSource-MD5: a1625834b5fc8dcde0b8ef40cf64910c</span>
TestScript: <<
mv ../regressiontests-%v regressiontests-%v
# sentinel-file is flag to activate testing during InstallScript as
<span class="gu">@@ -68,9 +73,8 @@</span>
InstallScript: <<
#!/bin/bash -efv
cd build
<span class="gd">-CMAKE_OPTIONS="-DBOOST_ROOT=%p/opt/boost-1_58 \</span>
<span class="gi">+CMAKE_OPTIONS="-DGMX_FFT_LIBRARY=fftw3 \</span>
-DGMX_GPU="OFF" \
<span class="gd">- -DGMX_FFT_LIBRARY=fftw3 \</span>
-DGMX_X11="ON" \
-DGMX_MPI="ON" \
-DCMAKE_INSTALL_NAME_DIR=%p/lib \
<span class="gu">@@ -108,26 +112,28 @@</span>
make install DESTDIR=%d
<<
SplitOff: <<
<span class="gd">-Package: gromacs1-mpi-shlibs</span>
<span class="gi">+Package: gromacs2-mpi-shlibs</span>
Depends: <<
<span class="gd">- fftw3-shlibs (>= 3.3.4-2),</span>
<span class="gi">+ libomp-shlibs,</span>
<span class="gi">+ fftw3-shlibs (>= 3.3.5-1),</span>
<span class="gi">+ hwloc-shlibs,</span>
openmpi-shlibs (>= 1.10.0-1),
x11
<<
Files: <<
<span class="gd">- lib/libgromacs_mpi.1*.dylib</span>
<span class="gd">- lib/libgromacs_mpi_d.1*.dylib</span>
<span class="gi">+ lib/libgromacs_mpi.2*.dylib</span>
<span class="gi">+ lib/libgromacs_mpi_d.2*.dylib</span>
<<
Shlibs: <<
<span class="gd">- @rpath/libgromacs_mpi.1.dylib 1.0.0 %n (>= 5.1-1)</span>
<span class="gd">- @rpath/libgromacs_mpi_d.1.dylib 1.0.0 %n (>= 5.1-1)</span>
<span class="gi">+ @rpath/libgromacs_mpi.2.dylib 2.0.0 %n (>= 2016-1)</span>
<span class="gi">+ @rpath/libgromacs_mpi_d.2.dylib 2.0.0 %n (>= 2016-1)</span>
<<
DocFiles: AUTHORS COPYING README
<<
SplitOff2: <<
Package: %N-dev
Depends: <<
<span class="gd">- gromacs1-mpi-shlibs (= %v-%r)</span>
<span class="gi">+ gromacs2-mpi-shlibs (= %v-%r)</span>
<<
Conflicts: <<
gromacs (<= 4.6-1),
</pre></div>
<p>Tested on 10.13 with 'fink -m'.</p>
<hr/>
<p>Sent from sourceforge.net because [email protected] is subscribed to <a href="https://sourceforge.net/p/fink/package-submissions/">https://sourceforge.net/p/fink/package-submissions/</a></p>
<p>To unsubscribe from further messages, a project admin can change settings at <a href="https://sourceforge.net/p/fink/admin/package-submissions/options.">https://sourceforge.net/p/fink/admin/package-submissions/options.</a> Or, if this is a mailing list, you can unsubscribe from the mailing list.</p></div>
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