admin/gromacs.spec

   1 Name:           gromacs
   2 Version:        4.0.3
   3 Release:        7%{?dist}
   4 Summary:        GROMACS binaries
   5 Group:          Applications/Engineering
   6 License:        GPLv2+
   7 URL:            http://www.gromacs.org
   8 Source0:        ftp://ftp.gromacs.org/pub/gromacs/gromacs-%{version}.tar.gz
   9 Source1:        ftp://ftp.gromacs.org/pub/manual/manual-4.0.pdf
  10 Source2:        gromacs-template-makefile-single
  11 Source3:        gromacs-template-makefile-double
  12 Source4:        gromacs-template-makefile-mpi-single
  13 Source5:        gromacs-template-makefile-mpi-double
  14 Source6:        gromacs-README.fedora
  15
  16 # Add shebangs to scripts
  17 Patch0:         gromacs-GMXRC.patch
  18
  19 BuildRoot:      %{_tmppath}/%{name}-%{version}-%{release}-root-%(%{__id_u} -n)
  20 Requires:       gromacs-common  = %{version}-%{release}
  21
  22 BuildRequires:  fftw-devel
  23 BuildRequires:  gsl-devel
  24 BuildRequires:  libxml2-devel
  25 BuildRequires:  openmpi-devel
  26
  27 %if 0%{?rhel} == 4
  28 BuildRequires:  blas
  29 BuildRequires:  lapack
  30 BuildRequires:  xorg-x11-devel
  31 %else
  32 BuildRequires:  blas-devel
  33 BuildRequires:  lapack-devel
  34 BuildRequires:  libX11-devel
  35 %endif
  36
  37 # Check for mpi-selector or environment-modules
  38
  39 %define selector 0
  40 %define modules 0
  41
  42 %if 0%{?fedora} > 9
  43 %define modules 1
  44 %endif
  45
  46 %if 0%{?rhel} == 4
  47 %define selector 1
  48 %endif
  49
  50 %if 0%{?rhel} == 5
  51 %define selector 1
  52 %endif
  53
  54 %if %modules == 1
  55 BuildRequires:  environment-modules
  56 %endif
  57
  58 %if %selector == 1
  59 BuildRequires:  mpi-selector
  60 %endif
  61
  62
  63 %description
  64 GROMACS is a versatile and extremely well optimized package
  65 to perform molecular dynamics computer simulations and
  66 subsequent trajectory analysis. It is developed for
  67 biomolecules like proteins, but the extremely high
  68 performance means it is used also in several other field
  69 like polymer chemistry and solid state physics.
  70
  71 This package provides single and double precision binaries.
  72 The documentation is in the package gromacs-common.
  73
  74 N.B. All binaries have names starting with g_, for example
  75 mdrun has been renamed to g_mdrun.
  76
  77 %package libs
  78 Summary:        GROMACS libraries
  79 Group:          Applications/Engineering
  80 Requires:       gromacs-common = %{version}-%{release}
  81 # Need to have this so that yum doesn't pull atlas instead
  82 Requires:       blas
  83 Requires:       lapack
  84
  85 %description libs
  86 GROMACS is a versatile and extremely well optimized package
  87 to perform molecular dynamics computer simulations and
  88 subsequent trajectory analysis. It is developed for
  89 biomolecules like proteins, but the extremely high
  90 performance means it is used also in several other field
  91 like polymer chemistry and solid state physics.
  92
  93 This package provides runtime libraries needed for the
  94 single and double precision binaries.
  95
  96
  97 %package mpi
  98 Summary:        GROMACS MPI binaries
  99 Group:          Applications/Engineering
 100 Requires:       gromacs-common = %{version}-%{release}
 101 # Need to have this so that yum doesn't pull atlas instead
 102 Requires:       blas
 103 Requires:       lapack
 104
 105 %description mpi
 106 GROMACS is a versatile and extremely well optimized package
 107 to perform molecular dynamics computer simulations and
 108 subsequent trajectory analysis. It is developed for
 109 biomolecules like proteins, but the extremely high
 110 performance means it is used also in several other field
 111 like polymer chemistry and solid state physics.
 112
 113 This package provides MPI single precision and double
 114 precision binaries.
 115
 116
 117 %package common
 118 Summary:        GROMACS shared data and documentation
 119 Group:          Applications/Engineering
 120
 121 %description common
 122 GROMACS is a versatile and extremely well optimized package
 123 to perform molecular dynamics computer simulations and
 124 subsequent trajectory analysis. It is developed for
 125 biomolecules like proteins, but the extremely high
 126 performance means it is used also in several other field
 127 like polymer chemistry and solid state physics.
 128
 129 This package includes architecture independent data and
 130 documentation.
 131
 132
 133 %package devel
 134 Summary:        GROMACS header files and development libraries
 135 Group:          Applications/Engineering
 136 Requires:       gromacs-common = %{version}-%{release}
 137 Requires:       gromacs-libs = %{version}-%{release}
 138
 139 %description devel
 140 GROMACS is a versatile and extremely well optimized package
 141 to perform molecular dynamics computer simulations and
 142 subsequent trajectory analysis. It is developed for
 143 biomolecules like proteins, but the extremely high
 144 performance means it is used also in several other field
 145 like polymer chemistry and solid state physics.
 146
 147 This package contains header files, development libraries,
 148 and a program example for the GROMACS molecular
 149 dynamics software. You need it if you want to write your
 150 own analysis programs.
 151
 152
 153 %package mpi-devel
 154 Summary:        GROMACS MPI development libraries
 155 Group:          Applications/Engineering
 156 Requires:       gromacs-mpi-libs = %{version}-%{release}
 157 Requires:       gromacs-devel =  %{version}-%{release}
 158 # Need to have this so that yum doesn't install LAM instead
 159 Requires:       openmpi
 160
 161 %description mpi-devel
 162 GROMACS is a versatile and extremely well optimized package
 163 to perform molecular dynamics computer simulations and
 164 subsequent trajectory analysis. It is developed for
 165 biomolecules like proteins, but the extremely high
 166 performance means it is used also in several other field
 167 like polymer chemistry and solid state physics.
 168
 169 This package contains development libraries for GROMACS MPI.
 170 You need it if you want to write your own analysis programs.
 171
 172
 173 %package mpi-libs
 174 Summary:        GROMACS libraries
 175 Group:          Applications/Engineering
 176 Requires:       gromacs-common = %{version}-%{release}
 177 # Need to have this so that yum doesn't install LAM instead
 178 Requires:       openmpi
 179 # Need to have this so that yum doesn't pull atlas instead
 180 Requires:       blas
 181 Requires:       lapack
 182
 183 %description mpi-libs
 184 GROMACS is a versatile and extremely well optimized package
 185 to perform molecular dynamics computer simulations and
 186 subsequent trajectory analysis. It is developed for
 187 biomolecules like proteins, but the extremely high
 188 performance means it is used also in several other field
 189 like polymer chemistry and solid state physics.
 190
 191 This package provides runtime libraries needed for the
 192 MPI single and double precision binaries.
 193
 194
 195 %package bash
 196 Summary:        GROMACS bash completion
 197 Group:          Applications/Engineering
 198 Requires:       bash-completion
 199
 200 %description bash
 201 GROMACS is a versatile and extremely well optimized package
 202 to perform molecular dynamics computer simulations and
 203 subsequent trajectory analysis. It is developed for
 204 biomolecules like proteins, but the extremely high
 205 performance means it is used also in several other field
 206 like polymer chemistry and solid state physics.
 207
 208 This package provides the needed
 209 bash completion for GROMACS
 210
 211
 212 %package zsh
 213 Summary:        GROMACS zsh support
 214 Group:          Applications/Engineering
 215 Requires:       zsh
 216
 217 %description zsh
 218 GROMACS is a versatile and extremely well optimized package
 219 to perform molecular dynamics computer simulations and
 220 subsequent trajectory analysis. It is developed for
 221 biomolecules like proteins, but the extremely high
 222 performance means it is used also in several other field
 223 like polymer chemistry and solid state physics.
 224
 225 This package provides scripts needed to run GROMACS with
 226 zsh, also it provides zsh completion.
 227
 228
 229 %package csh
 230 Summary:        GROMACS csh support
 231 Group:          Applications/Engineering
 232 Requires:       csh
 233
 234 %description csh
 235 GROMACS is a versatile and extremely well optimized package
 236 to perform molecular dynamics computer simulations and
 237 subsequent trajectory analysis. It is developed for
 238 biomolecules like proteins, but the extremely high
 239 performance means it is used also in several other field
 240 like polymer chemistry and solid state physics.
 241
 242 This package provides scripts needed to run GROMACS with
 243 csh and a completion script.
 244
 245 %package tutor
 246 Summary:        GROMACS tutorial files
 247 Group:          Applications/Engineering
 248 Requires:       gromacs-common = %{version}-%{release}
 249
 250 %description tutor
 251 GROMACS is a versatile and extremely well optimized package
 252 to perform molecular dynamics computer simulations and
 253 subsequent trajectory analysis. It is developed for
 254 biomolecules like proteins, but the extremely high
 255 performance means it is used also in several other field
 256 like polymer chemistry and solid state physics.
 257
 258 This package provides tutorials for the use of GROMACS.
 259
 260 %prep
 261 %setup -q
 262 %patch0 -p1
 263
 264 # Fix incorrect permission
 265 chmod a-x src/tools/gmx_xpm2ps.c
 266
 267
 268
 269 %build
 270 # Assembly kernels haven't got .note.GNU-stack sections
 271 # because of incompatibilies with Microsoft Assembler.
 272 # Add noexecstack to compiler flags
 273
 274 export CFLAGS="%optflags -Wa,--noexecstack -fPIC"
 275 export LIBS="-lblas -llapack"
 276
 277 # Single precision
 278 mkdir single
 279 cd single
 280 ln -s ../configure .
 281 %configure --enable-shared \
 282         --disable-static --enable-float \
 283         --with-external-blas --with-external-lapack \
 284         --with-gsl --with-x
 285 sed -i 's|^hardcode_libdir_flag_spec=.*|hardcode_libdir_flag_spec=""|g' libtool
 286 sed -i 's|^runpath_var=LD_RUN_PATH|runpath_var=DIE_RPATH_DIE|g' libtool
 287
 288 make %{?_smp_mflags}
 289 cd ..
 290
 291 # Double precision
 292 mkdir double
 293 cd double
 294 ln -s ../configure .
 295 %configure --disable-rpath --enable-shared \
 296         --disable-static --disable-float \
 297         --with-external-blas --with-external-lapack \
 298         --with-gsl --with-x \
 299         --program-suffix=_d
 300 sed -i 's|^hardcode_libdir_flag_spec=.*|hardcode_libdir_flag_spec=""|g' libtool
 301 sed -i 's|^runpath_var=LD_RUN_PATH|runpath_var=DIE_RPATH_DIE|g' libtool
 302
 303 make %{?_smp_mflags}
 304 cd ..
 305
 306 # Load MPI enviroment
 307
 308 %if %modules == 1
 309 . /etc/profile.d/modules.sh
 310 module load %{_libdir}/openmpi/*/openmpi.module
 311 %endif
 312
 313 %if %selector == 1
 314 # Set MPI environment
 315 mpi-selector --set `mpi-selector --list | grep openmpi`
 316 source /etc/profile.d/mpi-selector.sh
 317 %endif
 318
 319
 320 # MPI, single precision
 321
 322 mkdir mpi-single
 323 cd mpi-single
 324 ln -s ../configure .
 325 %configure --enable-shared \
 326         --disable-static --enable-float \
 327         --with-external-blas --with-external-lapack \
 328         --with-gsl --with-x --enable-mpi \
 329         --program-suffix=_mpi
 330 sed -i 's|^hardcode_libdir_flag_spec=.*|hardcode_libdir_flag_spec=""|g' libtool
 331 sed -i 's|^runpath_var=LD_RUN_PATH|runpath_var=DIE_RPATH_DIE|g' libtool
 332
 333 make %{?_smp_mflags} mdrun
 334 #make %{?_smp_mflags}
 335 cd ..
 336
 337 # MPI, double precision
 338 mkdir mpi-double
 339 cd mpi-double
 340 ln -s ../configure .
 341 %configure --enable-shared \
 342         --disable-static --disable-float \
 343         --with-external-blas --with-external-lapack \
 344         --with-gsl --with-x --enable-mpi \
 345         --program-suffix=_mpi_d
 346 sed -i 's|^hardcode_libdir_flag_spec=.*|hardcode_libdir_flag_spec=""|g' libtool
 347 sed -i 's|^runpath_var=LD_RUN_PATH|runpath_var=DIE_RPATH_DIE|g' libtool
 348
 349 make %{?_smp_mflags} mdrun
 350 #make %{?_smp_mflags}
 351 cd ..
 352
 353
 354 %install
 355 rm -rf %{buildroot}
 356
 357 # Single precision
 358 cd single
 359 make DESTDIR=%{buildroot} INSTALL="install -p" install
 360 cd ..
 361
 362 # Double precision
 363 cd double
 364 make DESTDIR=%{buildroot} INSTALL="install -p" install
 365 cd ..
 366
 367
 368
 369 # MPI, single precision
 370 cd mpi-single
 371 make DESTDIR=%{buildroot} INSTALL="install -p" install-mdrun
 372 cd ..
 373
 374 # MPI, double precision
 375 cd mpi-double
 376 make DESTDIR=%{buildroot} INSTALL="install -p" install-mdrun
 377 cd ..
 378
 379 # Install manual & packager's note
 380 install -cpm 644 %{SOURCE1} .
 381 install -cpm 644 %{SOURCE6} README.fedora
 382
 383 # Remove broken makefiles generated by build process
 384 rm -rf %{buildroot}%{_datadir}/%{name}/template/Makefil*
 385 # Install template makefiles
 386 install -cpm 644 %{SOURCE2} %{buildroot}%{_datadir}/%{name}/template/Makefile.single
 387 install -cpm 644 %{SOURCE3} %{buildroot}%{_datadir}/%{name}/template/Makefile.double
 388 install -cpm 644 %{SOURCE4} %{buildroot}%{_datadir}/%{name}/template/Makefile.mpi.single
 389 install -cpm 644 %{SOURCE5} %{buildroot}%{_datadir}/%{name}/template/Makefile.mpi.double
 390
 391
 392 # Fix GMXRC file permissions
 393 chmod a+x %{buildroot}%{_bindir}/GMXRC %{buildroot}%{_bindir}/GMXRC.*
 394
 395 # Rename binaries and man pages to prevent clashes
 396 # (This is done here so that we don't need to mess with machine generated makefiles.
 397 for bin in anadock do_dssp editconf eneconv genbox genconf genion genrestr gmxcheck gmxdump grompp highway luck make_edi make_ndx mdrun mk_angndx ngmx pdb2gmx protonate sigeps tpbconv trjcat trjconv trjorder wheel x2top xpm2ps xrama ; do
 398 mv %{buildroot}%{_bindir}/${bin} %{buildroot}%{_bindir}/g_${bin}
 399 mv %{buildroot}%{_bindir}/${bin}_d %{buildroot}%{_bindir}/g_${bin}_d
 400 done
 401
 402 for bin in demux.pl xplor2gmx.pl; do
 403 mv %{buildroot}%{_bindir}/$bin %{buildroot}%{_bindir}/g_${bin}
 404 done
 405
 406 # MPI-enabled binaries (list will continue when the makefile has
 407 # the possibility to compile all mpi-enabled files
 408 for mpibin in mdrun; do
 409 mv %{buildroot}%{_bindir}/${mpibin}_mpi %{buildroot}%{_bindir}/g_${mpibin}_mpi
 410 mv %{buildroot}%{_bindir}/${mpibin}_mpi_d %{buildroot}%{_bindir}/g_${mpibin}_mpi_d
 411 done
 412
 413 # Man pages
 414 for bin in anadock do_dssp editconf eneconv genbox genconf genion genrestr gmxcheck gmxdump grompp highway make_edi make_ndx mdrun mk_angndx ngmx pdb2gmx protonate sigeps tpbconv trjcat trjconv trjorder wheel x2top xpm2ps xrama ; do
 415 mv %{buildroot}%{_mandir}/man1/${bin}.1 %{buildroot}%{_mandir}/man1/g_${bin}.1
 416 mv %{buildroot}%{_mandir}/man1/${bin}_d.1 %{buildroot}%{_mandir}/man1/g_${bin}_d.1
 417 done
 418
 419 # Move completion files around
 420 chmod a-x %{buildroot}%{_bindir}/completion.*
 421 # Zsh
 422 mkdir -p %{buildroot}%{_datadir}/zsh/site-functions
 423 mv %{buildroot}%{_bindir}/completion.zsh %{buildroot}%{_datadir}/zsh/site-functions/gromacs
 424 # Bash
 425 mkdir -p %{buildroot}%{_sysconfdir}/bash_completion.d
 426 mv %{buildroot}%{_bindir}/completion.bash %{buildroot}/etc/bash_completion.d/gromacs
 427 # Tcsh
 428 mv %{buildroot}%{_bindir}/completion.csh .
 429
 430 # Remove .la files
 431 rm -rf %{buildroot}/%{_libdir}/*.la
 432
 433 # Post install for libs
 434
 435 %post libs -p /sbin/ldconfig
 436
 437 %postun libs -p /sbin/ldconfig
 438
 439 %post mpi-libs -p /sbin/ldconfig
 440
 441 %postun mpi-libs -p /sbin/ldconfig
 442
 443
 444 %clean
 445 rm -rf %{buildroot}
 446
 447
 448
 449
 450 # Files section
 451
 452 %files
 453 %defattr(-,root,root,-)
 454 %{_bindir}/*
 455 %exclude %{_bindir}/g_mdrun_mpi
 456 %exclude %{_bindir}/g_mdrun_mpi_d
 457 %exclude %{_bindir}/GMXRC*
 458
 459 %files libs
 460 %defattr(-,root,root,-)
 461 %{_libdir}/libgmx.so.*
 462 %{_libdir}/libgmx_d.so.*
 463 %{_libdir}/libgmxana.so.*
 464 %{_libdir}/libgmxana_d.so.*
 465 %{_libdir}/libmd.so.*
 466 %{_libdir}/libmd_d.so.*
 467
 468 %files mpi
 469 %defattr(-,root,root,-)
 470 %{_bindir}/g_mdrun_mpi
 471 %{_bindir}/g_mdrun_mpi_d
 472
 473
 474 %files mpi-libs
 475 %defattr(-,root,root,-)
 476 %{_libdir}/libgmx_mpi.so.*
 477 %{_libdir}/libgmx_mpi_d.so.*
 478 %{_libdir}/libmd_mpi.so.*
 479 %{_libdir}/libmd_mpi_d.so.*
 480
 481
 482
 483 %files common
 484 %defattr(-,root,root,-)
 485 %doc AUTHORS COPYING README manual-4.0.pdf README.fedora
 486 %{_bindir}/GMXRC
 487 %{_bindir}/GMXRC.bash
 488 %{_mandir}/man1/*
 489 %{_datadir}/%{name}
 490 %exclude %{_datadir}/%{name}/template
 491 %exclude %{_datadir}/%{name}/tutor
 492
 493 %files devel
 494 %defattr(-,root,root,-)
 495 %{_includedir}/%{name}
 496 %{_libdir}/libgmx.so
 497 %{_libdir}/libgmx_d.so
 498 %{_libdir}/libgmxana.so
 499 %{_libdir}/libgmxana_d.so
 500 %{_libdir}/libmd.so
 501 %{_libdir}/libmd_d.so
 502 %{_datadir}/%{name}/template
 503 %exclude %{_datadir}/%{name}/template/Makefile.mpi.*
 504
 505 %files mpi-devel
 506 %defattr(-,root,root,-)
 507 %{_libdir}/libgmx_mpi.so
 508 %{_libdir}/libgmx_mpi_d.so
 509 %{_libdir}/libmd_mpi.so
 510 %{_libdir}/libmd_mpi_d.so
 511 %{_datadir}/%{name}/template/Makefile.mpi.*
 512
 513
 514 %files zsh
 515 %defattr(-,root,root,-)
 516 %{_datadir}/zsh/site-functions/gromacs
 517 %{_bindir}/GMXRC.zsh
 518
 519 %files bash
 520 %defattr(-,root,root,-)
 521 %config(noreplace) %{_sysconfdir}/bash_completion.d/gromacs
 522
 523
 524 %files csh
 525 %defattr(-,root,root,-)
 526 %doc completion.csh
 527 %{_bindir}/GMXRC.csh
 528
 529 %files tutor
 530 %defattr(-,root,root,-)
 531 %{_datadir}/%{name}/tutor
 532
 533
 534 %changelog
 535 * Wed Jan 14 2009 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0.2-7
 536 - Update manual to latest version.
 537 - Removed Requires: blas and lapack.
 538
 539 * Mon Nov 10 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0.2-6
 540 - Update to 4.0.2.
 541
 542 * Sun Nov 09 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0.1-5
 543 - Add Requires: blas too.
 544
 545 * Sun Nov 09 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0.1-4
 546 - Update to 4.0.1.
 547 - Add Requires: lapack and openmpi to prevent yum from pulling atlas and lam
 548 instead.
 549
 550 * Wed Oct 15 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-3
 551 - Rename also man pages.
 552
 553 * Mon Oct 13 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-2
 554 - Added noreplace to bash completion file.
 555 - Changed double precision mpi binary suffix to _mpi_d.
 556
 557 * Sun Oct 12 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-1
 558 - Update to Gromacs 4.0.
 559 - Remove module system and patch file names to begin with g_.
 560
 561 * Wed Oct 08 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.15.rc3
 562 - Changed location of binaries.
 563 - Removed conflict of module file, as the program is binary compatible with older versions.
 564
 565 * Wed Oct 08 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.14.rc3
 566 - The gromacs module is loaded automatically and it conflicts with gromacs3.
 567
 568 * Tue Oct 07 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.13.rc3
 569 - Renamed module files from %%{name}-%%{version} to %%{name}.
 570
 571 * Mon Oct 06 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.12.rc3
 572 - Fix BR to get GROMACS to build in mock for epel-4.
 573
 574 * Sat Oct 04 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.11.rc3
 575 - Fix to get GROMACS to build in mock for epel-5.
 576
 577 * Sat Oct 04 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.10.rc3
 578 - Implement module system & remove binary renaming.
 579 - No need for autoreconf anymore.
 580 - Update to rc3.
 581
 582 * Sat Oct 04 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.9.rc2
 583 - Fall back to autoreconf due to binary renaming.
 584
 585 * Fri Oct 03 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.8.rc2
 586 - Modified install commands to preserve timestamps.
 587
 588 * Fri Oct 03 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.7.rc2
 589 - Even more review fixes.
 590 - Binaries renamed:
 591         highway ->      g_highway
 592         luck    ->      g_luck
 593         sigeps  ->      g_sigeps
 594         wheel   ->      g_wheel
 595
 596 * Thu Oct 02 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.6.rc2
 597 - Final review fixes.
 598
 599 * Wed Oct 01 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.5.rc2
 600 - Strip down requires by branching tutor to its own package.
 601
 602 * Tue Sep 30 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.4.rc2
 603 - Extensive package review fixes.
 604 - Unclear licenses on some files, filed upstream bug 217.
 605   http://bugzilla.gromacs.org/show_bug.cgi?id=217
 606
 607 * Mon Sep 29 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.3.rc2
 608 - Move .so files to -devel package.
 609 - Remove .la files.
 610
 611 * Mon Sep 29 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.2.rc2
 612 - Implement out-of-tree-builds.
 613 - Add --noexecstack to CFLAGS.
 614 - Remove execstack procedure and prelink from buildreqs.
 615 - Filed upstream bug 215 to add .note.GNU-stack .
 616 - Fix incorrect file permission on src/tools/gmx_xpm2ps.c .
 617
 618 * Mon Sep 29 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.1.rc2
 619 - Alphabetized buildrequires.
 620 - Changed gromacs-share to gromacs-common.
 621
 622 * Fri Sep 26 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.0.rc2
 623 - Initial build.