admin/gromacs.spec

   1 Name:           gromacs
   2 Version:        4.5
   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:  openmpi-devel
  25
  26 %if 0%{?rhel} == 4
  27 BuildRequires:  blas
  28 BuildRequires:  lapack
  29 BuildRequires:  xorg-x11-devel
  30 %else
  31 BuildRequires:  blas-devel
  32 BuildRequires:  lapack-devel
  33 BuildRequires:  libX11-devel
  34 %endif
  35
  36 # Check for mpi-selector or environment-modules
  37
  38 %define selector 0
  39 %define modules 0
  40
  41 %if 0%{?fedora} > 9
  42 %define modules 1
  43 %endif
  44
  45 %if 0%{?rhel} == 4
  46 %define selector 1
  47 %endif
  48
  49 %if 0%{?rhel} == 5
  50 %define selector 1
  51 %endif
  52
  53 %if %modules == 1
  54 BuildRequires:  environment-modules
  55 %endif
  56
  57 %if %selector == 1
  58 BuildRequires:  mpi-selector
  59 %endif
  60
  61
  62 %description
  63 GROMACS is a versatile and extremely well optimized package
  64 to perform molecular dynamics computer simulations and
  65 subsequent trajectory analysis. It is developed for
  66 biomolecules like proteins, but the extremely high
  67 performance means it is used also in several other field
  68 like polymer chemistry and solid state physics.
  69
  70 This package provides single and double precision binaries.
  71 The documentation is in the package gromacs-common.
  72
  73 N.B. All binaries have names starting with g_, for example
  74 mdrun has been renamed to g_mdrun.
  75
  76 %package libs
  77 Summary:        GROMACS libraries
  78 Group:          Applications/Engineering
  79 Requires:       gromacs-common = %{version}-%{release}
  80 # Need to have this so that yum doesn't pull atlas instead
  81 Requires:       blas
  82 Requires:       lapack
  83
  84 %description libs
  85 GROMACS is a versatile and extremely well optimized package
  86 to perform molecular dynamics computer simulations and
  87 subsequent trajectory analysis. It is developed for
  88 biomolecules like proteins, but the extremely high
  89 performance means it is used also in several other field
  90 like polymer chemistry and solid state physics.
  91
  92 This package provides runtime libraries needed for the
  93 single and double precision binaries.
  94
  95
  96 %package mpi
  97 Summary:        GROMACS MPI binaries
  98 Group:          Applications/Engineering
  99 Requires:       gromacs-common = %{version}-%{release}
 100 # Need to have this so that yum doesn't pull atlas instead
 101 Requires:       blas
 102 Requires:       lapack
 103
 104 %description mpi
 105 GROMACS is a versatile and extremely well optimized package
 106 to perform molecular dynamics computer simulations and
 107 subsequent trajectory analysis. It is developed for
 108 biomolecules like proteins, but the extremely high
 109 performance means it is used also in several other field
 110 like polymer chemistry and solid state physics.
 111
 112 This package provides MPI single precision and double
 113 precision binaries.
 114
 115
 116 %package common
 117 Summary:        GROMACS shared data and documentation
 118 Group:          Applications/Engineering
 119
 120 %description common
 121 GROMACS is a versatile and extremely well optimized package
 122 to perform molecular dynamics computer simulations and
 123 subsequent trajectory analysis. It is developed for
 124 biomolecules like proteins, but the extremely high
 125 performance means it is used also in several other field
 126 like polymer chemistry and solid state physics.
 127
 128 This package includes architecture independent data and
 129 documentation.
 130
 131
 132 %package devel
 133 Summary:        GROMACS header files and development libraries
 134 Group:          Applications/Engineering
 135 Requires:       gromacs-common = %{version}-%{release}
 136 Requires:       gromacs-libs = %{version}-%{release}
 137
 138 %description devel
 139 GROMACS is a versatile and extremely well optimized package
 140 to perform molecular dynamics computer simulations and
 141 subsequent trajectory analysis. It is developed for
 142 biomolecules like proteins, but the extremely high
 143 performance means it is used also in several other field
 144 like polymer chemistry and solid state physics.
 145
 146 This package contains header files, development libraries,
 147 and a program example for the GROMACS molecular
 148 dynamics software. You need it if you want to write your
 149 own analysis programs.
 150
 151
 152 %package mpi-devel
 153 Summary:        GROMACS MPI development libraries
 154 Group:          Applications/Engineering
 155 Requires:       gromacs-mpi-libs = %{version}-%{release}
 156 Requires:       gromacs-devel =  %{version}-%{release}
 157 # Need to have this so that yum doesn't install LAM instead
 158 Requires:       openmpi
 159
 160 %description mpi-devel
 161 GROMACS is a versatile and extremely well optimized package
 162 to perform molecular dynamics computer simulations and
 163 subsequent trajectory analysis. It is developed for
 164 biomolecules like proteins, but the extremely high
 165 performance means it is used also in several other field
 166 like polymer chemistry and solid state physics.
 167
 168 This package contains development libraries for GROMACS MPI.
 169 You need it if you want to write your own analysis programs.
 170
 171
 172 %package mpi-libs
 173 Summary:        GROMACS libraries
 174 Group:          Applications/Engineering
 175 Requires:       gromacs-common = %{version}-%{release}
 176 # Need to have this so that yum doesn't install LAM instead
 177 Requires:       openmpi
 178 # Need to have this so that yum doesn't pull atlas instead
 179 Requires:       blas
 180 Requires:       lapack
 181
 182 %description mpi-libs
 183 GROMACS is a versatile and extremely well optimized package
 184 to perform molecular dynamics computer simulations and
 185 subsequent trajectory analysis. It is developed for
 186 biomolecules like proteins, but the extremely high
 187 performance means it is used also in several other field
 188 like polymer chemistry and solid state physics.
 189
 190 This package provides runtime libraries needed for the
 191 MPI single and double precision binaries.
 192
 193
 194 %package bash
 195 Summary:        GROMACS bash completion
 196 Group:          Applications/Engineering
 197 Requires:       bash-completion
 198
 199 %description bash
 200 GROMACS is a versatile and extremely well optimized package
 201 to perform molecular dynamics computer simulations and
 202 subsequent trajectory analysis. It is developed for
 203 biomolecules like proteins, but the extremely high
 204 performance means it is used also in several other field
 205 like polymer chemistry and solid state physics.
 206
 207 This package provides the needed
 208 bash completion for GROMACS
 209
 210
 211 %package zsh
 212 Summary:        GROMACS zsh support
 213 Group:          Applications/Engineering
 214 Requires:       zsh
 215
 216 %description zsh
 217 GROMACS is a versatile and extremely well optimized package
 218 to perform molecular dynamics computer simulations and
 219 subsequent trajectory analysis. It is developed for
 220 biomolecules like proteins, but the extremely high
 221 performance means it is used also in several other field
 222 like polymer chemistry and solid state physics.
 223
 224 This package provides scripts needed to run GROMACS with
 225 zsh, also it provides zsh completion.
 226
 227
 228 %package csh
 229 Summary:        GROMACS csh support
 230 Group:          Applications/Engineering
 231 Requires:       csh
 232
 233 %description csh
 234 GROMACS is a versatile and extremely well optimized package
 235 to perform molecular dynamics computer simulations and
 236 subsequent trajectory analysis. It is developed for
 237 biomolecules like proteins, but the extremely high
 238 performance means it is used also in several other field
 239 like polymer chemistry and solid state physics.
 240
 241 This package provides scripts needed to run GROMACS with
 242 csh and a completion script.
 243
 244 %package tutor
 245 Summary:        GROMACS tutorial files
 246 Group:          Applications/Engineering
 247 Requires:       gromacs-common = %{version}-%{release}
 248
 249 %description tutor
 250 GROMACS is a versatile and extremely well optimized package
 251 to perform molecular dynamics computer simulations and
 252 subsequent trajectory analysis. It is developed for
 253 biomolecules like proteins, but the extremely high
 254 performance means it is used also in several other field
 255 like polymer chemistry and solid state physics.
 256
 257 This package provides tutorials for the use of GROMACS.
 258
 259 %prep
 260 %setup -q
 261 %patch0 -p1
 262
 263 # Fix incorrect permission
 264 chmod a-x src/tools/gmx_xpm2ps.c
 265
 266
 267
 268 %build
 269 # Assembly kernels haven't got .note.GNU-stack sections
 270 # because of incompatibilies with Microsoft Assembler.
 271 # Add noexecstack to compiler flags
 272
 273 export CFLAGS="%optflags -Wa,--noexecstack -fPIC"
 274 export LIBS="-lblas -llapack"
 275
 276 # Single precision
 277 mkdir single
 278 cd single
 279 ln -s ../configure .
 280 %configure --enable-shared \
 281         --disable-static --enable-float \
 282         --with-external-blas --with-external-lapack \
 283         --with-gsl --with-x
 284 sed -i 's|^hardcode_libdir_flag_spec=.*|hardcode_libdir_flag_spec=""|g' libtool
 285 sed -i 's|^runpath_var=LD_RUN_PATH|runpath_var=DIE_RPATH_DIE|g' libtool
 286
 287 make %{?_smp_mflags}
 288 cd ..
 289
 290 # Double precision
 291 mkdir double
 292 cd double
 293 ln -s ../configure .
 294 %configure --disable-rpath --enable-shared \
 295         --disable-static --disable-float \
 296         --with-external-blas --with-external-lapack \
 297         --with-gsl --with-x \
 298         --program-suffix=_d
 299 sed -i 's|^hardcode_libdir_flag_spec=.*|hardcode_libdir_flag_spec=""|g' libtool
 300 sed -i 's|^runpath_var=LD_RUN_PATH|runpath_var=DIE_RPATH_DIE|g' libtool
 301
 302 make %{?_smp_mflags}
 303 cd ..
 304
 305 # Load MPI enviroment
 306
 307 %if %modules == 1
 308 . /etc/profile.d/modules.sh
 309 module load %{_libdir}/openmpi/*/openmpi.module
 310 %endif
 311
 312 %if %selector == 1
 313 # Set MPI environment
 314 mpi-selector --set `mpi-selector --list | grep openmpi`
 315 source /etc/profile.d/mpi-selector.sh
 316 %endif
 317
 318
 319 # MPI, single precision
 320
 321 mkdir mpi-single
 322 cd mpi-single
 323 ln -s ../configure .
 324 %configure --enable-shared \
 325         --disable-static --enable-float \
 326         --with-external-blas --with-external-lapack \
 327         --with-gsl --with-x --enable-mpi \
 328         --program-suffix=_mpi
 329 sed -i 's|^hardcode_libdir_flag_spec=.*|hardcode_libdir_flag_spec=""|g' libtool
 330 sed -i 's|^runpath_var=LD_RUN_PATH|runpath_var=DIE_RPATH_DIE|g' libtool
 331
 332 make %{?_smp_mflags} mdrun
 333 #make %{?_smp_mflags}
 334 cd ..
 335
 336 # MPI, double precision
 337 mkdir mpi-double
 338 cd mpi-double
 339 ln -s ../configure .
 340 %configure --enable-shared \
 341         --disable-static --disable-float \
 342         --with-external-blas --with-external-lapack \
 343         --with-gsl --with-x --enable-mpi \
 344         --program-suffix=_mpi_d
 345 sed -i 's|^hardcode_libdir_flag_spec=.*|hardcode_libdir_flag_spec=""|g' libtool
 346 sed -i 's|^runpath_var=LD_RUN_PATH|runpath_var=DIE_RPATH_DIE|g' libtool
 347
 348 make %{?_smp_mflags} mdrun
 349 #make %{?_smp_mflags}
 350 cd ..
 351
 352
 353 %install
 354 rm -rf %{buildroot}
 355
 356 # Single precision
 357 cd single
 358 make DESTDIR=%{buildroot} INSTALL="install -p" install
 359 cd ..
 360
 361 # Double precision
 362 cd double
 363 make DESTDIR=%{buildroot} INSTALL="install -p" install
 364 cd ..
 365
 366
 367
 368 # MPI, single precision
 369 cd mpi-single
 370 make DESTDIR=%{buildroot} INSTALL="install -p" install-mdrun
 371 cd ..
 372
 373 # MPI, double precision
 374 cd mpi-double
 375 make DESTDIR=%{buildroot} INSTALL="install -p" install-mdrun
 376 cd ..
 377
 378 # Install manual & packager's note
 379 install -cpm 644 %{SOURCE1} .
 380 install -cpm 644 %{SOURCE6} README.fedora
 381
 382 # Remove broken makefiles generated by build process
 383 rm -rf %{buildroot}%{_datadir}/%{name}/template/Makefil*
 384 # Install template makefiles
 385 install -cpm 644 %{SOURCE2} %{buildroot}%{_datadir}/%{name}/template/Makefile.single
 386 install -cpm 644 %{SOURCE3} %{buildroot}%{_datadir}/%{name}/template/Makefile.double
 387 install -cpm 644 %{SOURCE4} %{buildroot}%{_datadir}/%{name}/template/Makefile.mpi.single
 388 install -cpm 644 %{SOURCE5} %{buildroot}%{_datadir}/%{name}/template/Makefile.mpi.double
 389
 390
 391 # Fix GMXRC file permissions
 392 chmod a+x %{buildroot}%{_bindir}/GMXRC %{buildroot}%{_bindir}/GMXRC.*
 393
 394 # Rename binaries and man pages to prevent clashes
 395 # (This is done here so that we don't need to mess with machine generated makefiles.
 396 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
 397 mv %{buildroot}%{_bindir}/${bin} %{buildroot}%{_bindir}/g_${bin}
 398 mv %{buildroot}%{_bindir}/${bin}_d %{buildroot}%{_bindir}/g_${bin}_d
 399 done
 400
 401 for bin in demux.pl xplor2gmx.pl; do
 402 mv %{buildroot}%{_bindir}/$bin %{buildroot}%{_bindir}/g_${bin}
 403 done
 404
 405 # MPI-enabled binaries (list will continue when the makefile has
 406 # the possibility to compile all mpi-enabled files
 407 for mpibin in mdrun; do
 408 mv %{buildroot}%{_bindir}/${mpibin}_mpi %{buildroot}%{_bindir}/g_${mpibin}_mpi
 409 mv %{buildroot}%{_bindir}/${mpibin}_mpi_d %{buildroot}%{_bindir}/g_${mpibin}_mpi_d
 410 done
 411
 412 # Man pages
 413 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
 414 mv %{buildroot}%{_mandir}/man1/${bin}.1 %{buildroot}%{_mandir}/man1/g_${bin}.1
 415 mv %{buildroot}%{_mandir}/man1/${bin}_d.1 %{buildroot}%{_mandir}/man1/g_${bin}_d.1
 416 done
 417
 418 # Move completion files around
 419 chmod a-x %{buildroot}%{_bindir}/completion.*
 420 # Zsh
 421 mkdir -p %{buildroot}%{_datadir}/zsh/site-functions
 422 mv %{buildroot}%{_bindir}/completion.zsh %{buildroot}%{_datadir}/zsh/site-functions/gromacs
 423 # Bash
 424 mkdir -p %{buildroot}%{_sysconfdir}/bash_completion.d
 425 mv %{buildroot}%{_bindir}/completion.bash %{buildroot}/etc/bash_completion.d/gromacs
 426 # Tcsh
 427 mv %{buildroot}%{_bindir}/completion.csh .
 428
 429 # Remove .la files
 430 rm -rf %{buildroot}/%{_libdir}/*.la
 431
 432 # Post install for libs
 433
 434 %post libs -p /sbin/ldconfig
 435
 436 %postun libs -p /sbin/ldconfig
 437
 438 %post mpi-libs -p /sbin/ldconfig
 439
 440 %postun mpi-libs -p /sbin/ldconfig
 441
 442
 443 %clean
 444 rm -rf %{buildroot}
 445
 446
 447
 448
 449 # Files section
 450
 451 %files
 452 %defattr(-,root,root,-)
 453 %{_bindir}/*
 454 %exclude %{_bindir}/g_mdrun_mpi
 455 %exclude %{_bindir}/g_mdrun_mpi_d
 456 %exclude %{_bindir}/GMXRC*
 457
 458 %files libs
 459 %defattr(-,root,root,-)
 460 %{_libdir}/libgmx.so.*
 461 %{_libdir}/libgmx_d.so.*
 462 %{_libdir}/libgmxana.so.*
 463 %{_libdir}/libgmxana_d.so.*
 464 %{_libdir}/libmd.so.*
 465 %{_libdir}/libmd_d.so.*
 466
 467 %files mpi
 468 %defattr(-,root,root,-)
 469 %{_bindir}/g_mdrun_mpi
 470 %{_bindir}/g_mdrun_mpi_d
 471
 472
 473 %files mpi-libs
 474 %defattr(-,root,root,-)
 475 %{_libdir}/libgmx_mpi.so.*
 476 %{_libdir}/libgmx_mpi_d.so.*
 477 %{_libdir}/libmd_mpi.so.*
 478 %{_libdir}/libmd_mpi_d.so.*
 479
 480
 481
 482 %files common
 483 %defattr(-,root,root,-)
 484 %doc AUTHORS COPYING README manual-4.0.pdf README.fedora
 485 %{_bindir}/GMXRC
 486 %{_bindir}/GMXRC.bash
 487 %{_mandir}/man1/*
 488 %{_datadir}/%{name}
 489 %exclude %{_datadir}/%{name}/template
 490 %exclude %{_datadir}/%{name}/tutor
 491
 492 %files devel
 493 %defattr(-,root,root,-)
 494 %{_includedir}/%{name}
 495 %{_libdir}/libgmx.so
 496 %{_libdir}/libgmx_d.so
 497 %{_libdir}/libgmxana.so
 498 %{_libdir}/libgmxana_d.so
 499 %{_libdir}/libmd.so
 500 %{_libdir}/libmd_d.so
 501 %{_datadir}/%{name}/template
 502 %exclude %{_datadir}/%{name}/template/Makefile.mpi.*
 503
 504 %files mpi-devel
 505 %defattr(-,root,root,-)
 506 %{_libdir}/libgmx_mpi.so
 507 %{_libdir}/libgmx_mpi_d.so
 508 %{_libdir}/libmd_mpi.so
 509 %{_libdir}/libmd_mpi_d.so
 510 %{_datadir}/%{name}/template/Makefile.mpi.*
 511
 512
 513 %files zsh
 514 %defattr(-,root,root,-)
 515 %{_datadir}/zsh/site-functions/gromacs
 516 %{_bindir}/GMXRC.zsh
 517
 518 %files bash
 519 %defattr(-,root,root,-)
 520 %config(noreplace) %{_sysconfdir}/bash_completion.d/gromacs
 521
 522
 523 %files csh
 524 %defattr(-,root,root,-)
 525 %doc completion.csh
 526 %{_bindir}/GMXRC.csh
 527
 528 %files tutor
 529 %defattr(-,root,root,-)
 530 %{_datadir}/%{name}/tutor
 531
 532
 533 %changelog
 534 * Wed Jan 14 2009 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0.2-7
 535 - Update manual to latest version.
 536 - Removed Requires: blas and lapack.
 537
 538 * Mon Nov 10 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0.2-6
 539 - Update to 4.0.2.
 540
 541 * Sun Nov 09 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0.1-5
 542 - Add Requires: blas too.
 543
 544 * Sun Nov 09 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0.1-4
 545 - Update to 4.0.1.
 546 - Add Requires: lapack and openmpi to prevent yum from pulling atlas and lam
 547 instead.
 548
 549 * Wed Oct 15 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-3
 550 - Rename also man pages.
 551
 552 * Mon Oct 13 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-2
 553 - Added noreplace to bash completion file.
 554 - Changed double precision mpi binary suffix to _mpi_d.
 555
 556 * Sun Oct 12 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-1
 557 - Update to Gromacs 4.0.
 558 - Remove module system and patch file names to begin with g_.
 559
 560 * Wed Oct 08 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.15.rc3
 561 - Changed location of binaries.
 562 - Removed conflict of module file, as the program is binary compatible with older versions.
 563
 564 * Wed Oct 08 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.14.rc3
 565 - The gromacs module is loaded automatically and it conflicts with gromacs3.
 566
 567 * Tue Oct 07 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.13.rc3
 568 - Renamed module files from %%{name}-%%{version} to %%{name}.
 569
 570 * Mon Oct 06 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.12.rc3
 571 - Fix BR to get GROMACS to build in mock for epel-4.
 572
 573 * Sat Oct 04 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.11.rc3
 574 - Fix to get GROMACS to build in mock for epel-5.
 575
 576 * Sat Oct 04 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.10.rc3
 577 - Implement module system & remove binary renaming.
 578 - No need for autoreconf anymore.
 579 - Update to rc3.
 580
 581 * Sat Oct 04 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.9.rc2
 582 - Fall back to autoreconf due to binary renaming.
 583
 584 * Fri Oct 03 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.8.rc2
 585 - Modified install commands to preserve timestamps.
 586
 587 * Fri Oct 03 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.7.rc2
 588 - Even more review fixes.
 589 - Binaries renamed:
 590         highway ->      g_highway
 591         luck    ->      g_luck
 592         sigeps  ->      g_sigeps
 593         wheel   ->      g_wheel
 594
 595 * Thu Oct 02 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.6.rc2
 596 - Final review fixes.
 597
 598 * Wed Oct 01 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.5.rc2
 599 - Strip down requires by branching tutor to its own package.
 600
 601 * Tue Sep 30 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.4.rc2
 602 - Extensive package review fixes.
 603 - Unclear licenses on some files, filed upstream bug 217.
 604   http://bugzilla.gromacs.org/show_bug.cgi?id=217
 605
 606 * Mon Sep 29 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.3.rc2
 607 - Move .so files to -devel package.
 608 - Remove .la files.
 609
 610 * Mon Sep 29 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.2.rc2
 611 - Implement out-of-tree-builds.
 612 - Add --noexecstack to CFLAGS.
 613 - Remove execstack procedure and prelink from buildreqs.
 614 - Filed upstream bug 215 to add .note.GNU-stack .
 615 - Fix incorrect file permission on src/tools/gmx_xpm2ps.c .
 616
 617 * Mon Sep 29 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.1.rc2
 618 - Alphabetized buildrequires.
 619 - Changed gromacs-share to gromacs-common.
 620
 621 * Fri Sep 26 2008 Jussi Lehtola <jussi.lehtola@iki.fi> - 4.0-0.0.rc2
 622 - Initial build.