#4840 gromacs/gromacs-mpi-2016.1-1

open
nobody
None
5
2016-11-13
2016-11-13
No

Update the gromacs and gromacs-mpi packaging to the 2016.1 releae using the Info file changes...

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    13 Nov 2016 21:41:01 -0000
@@ -1,16 +1,19 @@
 Package: gromacs
-Version: 5.1.4
-Revision: 100
+Version: 2016.1
+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: 0eba1a1fe6c5ace51a7ce2eaf6c1c7f2
 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: 366438549270d005fa6def6e56ca0256
  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    13 Nov 2016 21:41:01 -0000
@@ -1,17 +1,20 @@
 Package: gromacs-mpi
-Version: 5.1.4
-Revision: 100
+Version: 2016.1
+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: 0eba1a1fe6c5ace51a7ce2eaf6c1c7f2
 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: 366438549270d005fa6def6e56ca0256
  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),

as well as the revised gromacs-libxml2.patch patch file.

Tested on 10.11 with 'fink -m'

Discussion

  • Jack Howarth

    Jack Howarth - 2016-11-13

    Info file for gromacs-2016.1-1

     
  • Jack Howarth

    Jack Howarth - 2016-11-13

    Info file for gromacs-mpi-2016.1-1

     
  • Jack Howarth

    Jack Howarth - 2016-11-13

    Revised patch file for gromacs-libxml2.patch

     
  • Daniel Macks

    Daniel Macks - 2016-11-13
    • Group: Undergoing_Validation --> Awaiting_Update_from_Submitter
     
  • Daniel Macks

    Daniel Macks - 2016-11-13

    Shlibs Policy fail...need to alter the -dev package-name (with appropriate Conflicts/Replaces) in parallel with altering the -shlibs package-name whose runtime files underly its BDO files. And need to not nuke the old -shlibs package from fink's distro (need separate .info for new or renamed -shlibs; including the %v in the filename is one standard approach).

     

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