admin/gromacs-3.0.spec

   1 #
   2 # RPM specification file to make gromacs packages, version 3.0
   3 # Presently, you cannot relocate from /usr/local/gromacs.
   4 #
   5 # Usage:
   6 #
   7 # 1. Start from a gromacs distribution tarball, made
   8 #    with "make dist". Put it in the RPM
   9 #    source directory (usually /usr/src/redhat/SOURCES).
  10 # 2. Edit the version and release info below (bump the
  11 #    release every time you release a new rpm, restore it
  12 #    to 1 for each a new version.)
  13 # 3. Edit the files tags IF YOU MOVE OR ADD ANY FILES
  14 #    (also if you change lib versions)
  15 # 4. This file assumes a i686-pc-linux-gnu configuration -
  16 #    you will have to change that for a different host,
  17 #    since it enters in the directory names gromacs creates.
  18 # 5. cd to /usr/src/redhat/SPECS and issue
  19 #    rpm -ba gromacs-3.0.spec
  20 #
  21 #    That's it - you should have both binary and source rpms now.
  22 #
  23
  24 #
  25 # Main package - only dynamic libs, and no header files
  26 #
  27 Summary: A package for molecular dynamics simulation
  28 Name: gromacs
  29 Version: 3.0
  30 Release: 1
  31 Copyright: GPL
  32 Group: Applications/Science
  33 Source: http://www.gromacs.org/download/gromacs_source/gromacs-3.0.tar.gz
  34 URL: http://www.gromacs.org
  35 Packager: Erik Lindahl <lindahl@gromacs.org>
  36 %description
  37 GROMACS is a versatile and extremely well optimized package
  38 to perform molecular dynamics computer simulations and
  39 subsequent trajectory analysis. It is developed for
  40 biomolecules like proteins, but the extremely high
  41 performance means it is used also in several other field
  42 like polymer chemistry and solid state physics. This
  43 version has the dynamic libs and executables; to hack new
  44 utility programs you also need the headers and static
  45 libs in gromacs-dev. Linux kernel 2.4 is STRONGLY
  46 recommended on Pentium III and later processors since
  47 GROMACS can then use assembly loops with SSE instructions.
  48 #
  49 # The header files and static libraries go into gromacs-devel...
  50 #
  51 %package devel
  52 Summary: Header files and static libraries for GROMACS
  53 Group: Applications/Science
  54 Requires: gromacs = %{version}-%{release}
  55 %description devel
  56 This package contains header files, static libraries,
  57 and a program example for the GROMACS molecular
  58 dynamics software. You need it if you want to write your
  59 own analysis programs.
  60
  61
  62 %prep
  63 %setup
  64
  65 %build
  66 ./configure
  67
  68 %install
  69 make install
  70 make links
  71
  72 %post
  73 #
  74 # Add our library dir to /etc/ld.so.conf if it is not already there
  75 #
  76 if test -z `grep /usr/local/gromacs/lib/i686-pc-linux-gnu /etc/ld.so.conf`; then
  77      cat >> /etc/ld.so.conf < /usr/local/gromacs/lib/i686-pc-linux-gnu
  78 fi
  79
  80 # run ldconfig to update the runtime linker database with the new libraries
  81 # (make sure /sbin is in the $PATH)
  82 PATH="/sbin:$PATH" ldconfig
  83
  84 %postun
  85 #
  86 # Remove gromacs lib dir from /etc/ld.so.conf, since nothing else resides there
  87 #
  88 grep -v /usr/local/gromacs/lib/i686-pc-linux-gnu /etc/ld.so.conf > tmpconf
  89 mv tmpconf /etc/ld.so.conf
  90
  91 # after uninstall, run ldconfig to remove the libs from the linker database
  92 PATH="/sbin:$PATH" ldconfig
  93
  94
  95
  96
  97 %files
  98 # binaries
  99 /usr/local/gromacs/bin/i686-pc-linux-gnu/average
 100 /usr/local/gromacs/bin/i686-pc-linux-gnu/g_confrms
 101 /usr/local/gromacs/bin/i686-pc-linux-gnu/g_gyrate
 102 /usr/local/gromacs/bin/i686-pc-linux-gnu/g_order
 103 /usr/local/gromacs/bin/i686-pc-linux-gnu/g_order
 104 /usr/local/gromacs/bin/i686-pc-linux-gnu/g_order
 105 /usr/local/gromacs/bin/i686-pc-linux-gnu/g_sorient
 106 /usr/local/gromacs/bin/i686-pc-linux-gnu/highway
 107 /usr/local/gromacs/bin/i686-pc-linux-gnu/trjconv
 108 /usr/local/gromacs/bin/i686-pc-linux-gnu/do_dssp
 109 /usr/local/gromacs/bin/i686-pc-linux-gnu/g_covar
 110 /usr/local/gromacs/bin/i686-pc-linux-gnu/g_h2order
 111 /usr/local/gromacs/bin/i686-pc-linux-gnu/g_potential
 112 /usr/local/gromacs/bin/i686-pc-linux-gnu/g_tcaf
 113 /usr/local/gromacs/bin/i686-pc-linux-gnu/luck
 114 /usr/local/gromacs/bin/i686-pc-linux-gnu/trjorder
 115 /usr/local/gromacs/bin/i686-pc-linux-gnu/editconf
 116 /usr/local/gromacs/bin/i686-pc-linux-gnu/g_density
 117 /usr/local/gromacs/bin/i686-pc-linux-gnu/g_hbond
 118 /usr/local/gromacs/bin/i686-pc-linux-gnu/g_rama
 119 /usr/local/gromacs/bin/i686-pc-linux-gnu/g_traj
 120 /usr/local/gromacs/bin/i686-pc-linux-gnu/make_ndx
 121 /usr/local/gromacs/bin/i686-pc-linux-gnu/wheel
 122 /usr/local/gromacs/bin/i686-pc-linux-gnu/eneconv
 123 /usr/local/gromacs/bin/i686-pc-linux-gnu/g_dielectric
 124 /usr/local/gromacs/bin/i686-pc-linux-gnu/g_helix
 125 /usr/local/gromacs/bin/i686-pc-linux-gnu/g_rdf
 126 /usr/local/gromacs/bin/i686-pc-linux-gnu/g_velacc
 127 /usr/local/gromacs/bin/i686-pc-linux-gnu/mdrun
 128 /usr/local/gromacs/bin/i686-pc-linux-gnu/x2top
 129 /usr/local/gromacs/bin/i686-pc-linux-gnu/g_anaeig
 130 /usr/local/gromacs/bin/i686-pc-linux-gnu/g_dih
 131 /usr/local/gromacs/bin/i686-pc-linux-gnu/g_lie
 132 /usr/local/gromacs/bin/i686-pc-linux-gnu/g_rms
 133 /usr/local/gromacs/bin/i686-pc-linux-gnu/genbox
 134 /usr/local/gromacs/bin/i686-pc-linux-gnu/mk_angndx
 135 /usr/local/gromacs/bin/i686-pc-linux-gnu/xmdrun
 136 /usr/local/gromacs/bin/i686-pc-linux-gnu/g_analyze
 137 /usr/local/gromacs/bin/i686-pc-linux-gnu/g_dipoles
 138 /usr/local/gromacs/bin/i686-pc-linux-gnu/g_mdmat
 139 /usr/local/gromacs/bin/i686-pc-linux-gnu/g_rmsdist
 140 /usr/local/gromacs/bin/i686-pc-linux-gnu/genconf
 141 /usr/local/gromacs/bin/i686-pc-linux-gnu/ngmx
 142 /usr/local/gromacs/bin/i686-pc-linux-gnu/xpm2ps
 143 /usr/local/gromacs/bin/i686-pc-linux-gnu/g_angle
 144 /usr/local/gromacs/bin/i686-pc-linux-gnu/g_disre
 145 /usr/local/gromacs/bin/i686-pc-linux-gnu/g_mindist
 146 /usr/local/gromacs/bin/i686-pc-linux-gnu/g_rmsf
 147 /usr/local/gromacs/bin/i686-pc-linux-gnu/genion
 148 /usr/local/gromacs/bin/i686-pc-linux-gnu/nmrun
 149 /usr/local/gromacs/bin/i686-pc-linux-gnu/xrama
 150 /usr/local/gromacs/bin/i686-pc-linux-gnu/g_bond
 151 /usr/local/gromacs/bin/i686-pc-linux-gnu/g_dist
 152 /usr/local/gromacs/bin/i686-pc-linux-gnu/g_morph
 153 /usr/local/gromacs/bin/i686-pc-linux-gnu/g_rotacf
 154 /usr/local/gromacs/bin/i686-pc-linux-gnu/genpr
 155 /usr/local/gromacs/bin/i686-pc-linux-gnu/pdb2gmx
 156 /usr/local/gromacs/bin/i686-pc-linux-gnu/g_bundle
 157 /usr/local/gromacs/bin/i686-pc-linux-gnu/g_dyndom
 158 /usr/local/gromacs/bin/i686-pc-linux-gnu/g_msd
 159 /usr/local/gromacs/bin/i686-pc-linux-gnu/g_saltbr
 160 /usr/local/gromacs/bin/i686-pc-linux-gnu/gmxcheck
 161 /usr/local/gromacs/bin/i686-pc-linux-gnu/protonate
 162 /usr/local/gromacs/bin/i686-pc-linux-gnu/g_chi
 163 /usr/local/gromacs/bin/i686-pc-linux-gnu/g_enemat
 164 /usr/local/gromacs/bin/i686-pc-linux-gnu/g_nmeig
 165 /usr/local/gromacs/bin/i686-pc-linux-gnu/g_sas
 166 /usr/local/gromacs/bin/i686-pc-linux-gnu/gmxdump
 167 /usr/local/gromacs/bin/i686-pc-linux-gnu/tpbconv
 168 /usr/local/gromacs/bin/i686-pc-linux-gnu/g_cluster
 169 /usr/local/gromacs/bin/i686-pc-linux-gnu/g_energy
 170 /usr/local/gromacs/bin/i686-pc-linux-gnu/g_nmens
 171 /usr/local/gromacs/bin/i686-pc-linux-gnu/g_sgangle
 172 /usr/local/gromacs/bin/i686-pc-linux-gnu/grompp
 173 /usr/local/gromacs/bin/i686-pc-linux-gnu/trjcat
 174 #links to /usr/local/bin
 175 /usr/local/bin/average
 176 /usr/local/bin/g_confrms
 177 /usr/local/bin/g_gyrate
 178 /usr/local/bin/g_order
 179 /usr/local/bin/g_order
 180 /usr/local/bin/g_order
 181 /usr/local/bin/g_sorient
 182 /usr/local/bin/highway
 183 /usr/local/bin/trjconv
 184 /usr/local/bin/do_dssp
 185 /usr/local/bin/g_covar
 186 /usr/local/bin/g_h2order
 187 /usr/local/bin/g_potential
 188 /usr/local/bin/g_tcaf
 189 /usr/local/bin/luck
 190 /usr/local/bin/trjorder
 191 /usr/local/bin/editconf
 192 /usr/local/bin/g_density
 193 /usr/local/bin/g_hbond
 194 /usr/local/bin/g_rama
 195 /usr/local/bin/g_traj
 196 /usr/local/bin/make_ndx
 197 /usr/local/bin/wheel
 198 /usr/local/bin/eneconv
 199 /usr/local/bin/g_dielectric
 200 /usr/local/bin/g_helix
 201 /usr/local/bin/g_rdf
 202 /usr/local/bin/g_velacc
 203 /usr/local/bin/mdrun
 204 /usr/local/bin/x2top
 205 /usr/local/bin/g_anaeig
 206 /usr/local/bin/g_dih
 207 /usr/local/bin/g_lie
 208 /usr/local/bin/g_rms
 209 /usr/local/bin/genbox
 210 /usr/local/bin/mk_angndx
 211 /usr/local/bin/xmdrun
 212 /usr/local/bin/g_analyze
 213 /usr/local/bin/g_dipoles
 214 /usr/local/bin/g_mdmat
 215 /usr/local/bin/g_rmsdist
 216 /usr/local/bin/genconf
 217 /usr/local/bin/ngmx
 218 /usr/local/bin/xpm2ps
 219 /usr/local/bin/g_angle
 220 /usr/local/bin/g_disre
 221 /usr/local/bin/g_mindist
 222 /usr/local/bin/g_rmsf
 223 /usr/local/bin/genion
 224 /usr/local/bin/nmrun
 225 /usr/local/bin/xrama
 226 /usr/local/bin/g_bond
 227 /usr/local/bin/g_dist
 228 /usr/local/bin/g_morph
 229 /usr/local/bin/g_rotacf
 230 /usr/local/bin/genpr
 231 /usr/local/bin/pdb2gmx
 232 /usr/local/bin/g_bundle
 233 /usr/local/bin/g_dyndom
 234 /usr/local/bin/g_msd
 235 /usr/local/bin/g_saltbr
 236 /usr/local/bin/gmxcheck
 237 /usr/local/bin/protonate
 238 /usr/local/bin/g_chi
 239 /usr/local/bin/g_enemat
 240 /usr/local/bin/g_nmeig
 241 /usr/local/bin/g_sas
 242 /usr/local/bin/gmxdump
 243 /usr/local/bin/tpbconv
 244 /usr/local/bin/g_cluster
 245 /usr/local/bin/g_energy
 246 /usr/local/bin/g_nmens
 247 /usr/local/bin/g_sgangle
 248 /usr/local/bin/grompp
 249 /usr/local/bin/trjcat
 250 # the topology library
 251 /usr/local/gromacs/top/
 252 /usr/local/gromacs/top/FF.dat
 253 /usr/local/gromacs/top/ffgmx.itp
 254 /usr/local/gromacs/top/ffgmxnb.itp
 255 /usr/local/gromacs/top/ffgmxbon.itp
 256 /usr/local/gromacs/top/ffgmx.atp
 257 /usr/local/gromacs/top/ffgmx.hdb
 258 /usr/local/gromacs/top/ffgmx.n2t
 259 /usr/local/gromacs/top/ffgmx.rtp
 260 /usr/local/gromacs/top/ffgmx-c.tdb
 261 /usr/local/gromacs/top/ffgmx-n.tdb
 262 /usr/local/gromacs/top/ffgmx2.itp
 263 /usr/local/gromacs/top/ffgmx2nb.itp
 264 /usr/local/gromacs/top/ffgmx2bon.itp
 265 /usr/local/gromacs/top/ffgmx2.atp
 266 /usr/local/gromacs/top/ffgmx2.hdb
 267 /usr/local/gromacs/top/ffgmx2.rtp
 268 /usr/local/gromacs/top/ffgmx2-c.tdb
 269 /usr/local/gromacs/top/ffgmx2-n.tdb
 270 /usr/local/gromacs/top/ffG43a1.itp
 271 /usr/local/gromacs/top/ffG43a1nb.itp
 272 /usr/local/gromacs/top/ffG43a1bon.itp
 273 /usr/local/gromacs/top/ffG43a1.atp
 274 /usr/local/gromacs/top/ffG43a1.hdb
 275 /usr/local/gromacs/top/ffG43a1.rtp
 276 /usr/local/gromacs/top/ffG43a1-c.tdb
 277 /usr/local/gromacs/top/ffG43a1-n.tdb
 278 /usr/local/gromacs/top/ffG43a2.itp
 279 /usr/local/gromacs/top/ffG43a2nb.itp
 280 /usr/local/gromacs/top/ffG43a2bon.itp
 281 /usr/local/gromacs/top/ffG43a2.atp
 282 /usr/local/gromacs/top/ffG43a2.hdb
 283 /usr/local/gromacs/top/ffG43a2.rtp
 284 /usr/local/gromacs/top/ffG43a2-c.tdb
 285 /usr/local/gromacs/top/ffG43a2-n.tdb
 286 /usr/local/gromacs/top/ffG43b1.itp
 287 /usr/local/gromacs/top/ffG43b1nb.itp
 288 /usr/local/gromacs/top/ffG43b1bon.itp
 289 /usr/local/gromacs/top/ffG43b1.atp
 290 /usr/local/gromacs/top/ffG43b1.hdb
 291 /usr/local/gromacs/top/ffG43b1.rtp
 292 /usr/local/gromacs/top/ffG43b1-c.tdb
 293 /usr/local/gromacs/top/ffG43b1-n.tdb
 294 /usr/local/gromacs/top/1mlg.itp
 295 /usr/local/gromacs/top/2mlg.itp
 296 /usr/local/gromacs/top/benzamide.itp
 297 /usr/local/gromacs/top/bondadd.itp
 298 /usr/local/gromacs/top/buck.itp
 299 /usr/local/gromacs/top/decane.itp
 300 /usr/local/gromacs/top/dlg.itp
 301 /usr/local/gromacs/top/dmso.itp
 302 /usr/local/gromacs/top/fa.itp
 303 /usr/local/gromacs/top/ff_dum.itp
 304 /usr/local/gromacs/top/flexspc.itp
 305 /usr/local/gromacs/top/flexspce.itp
 306 /usr/local/gromacs/top/flexwat-ferguson.itp
 307 /usr/local/gromacs/top/h2p4o13.itp
 308 /usr/local/gromacs/top/h2p8o25.itp
 309 /usr/local/gromacs/top/h2po4.itp
 310 /usr/local/gromacs/top/ions.itp
 311 /usr/local/gromacs/top/methanol.itp
 312 /usr/local/gromacs/top/spc.itp
 313 /usr/local/gromacs/top/spce.itp
 314 /usr/local/gromacs/top/tfe.itp
 315 /usr/local/gromacs/top/tip3pgmx.itp
 316 /usr/local/gromacs/top/tip4pgmx.itp
 317 /usr/local/gromacs/top/urea.itp
 318 /usr/local/gromacs/top/dec50.gro
 319 /usr/local/gromacs/top/dmso.gro
 320 /usr/local/gromacs/top/spc216.gro
 321 /usr/local/gromacs/top/tip4p.gro
 322 /usr/local/gromacs/top/urea+h2o.gro
 323 /usr/local/gromacs/top/aminoacids.dat
 324 /usr/local/gromacs/top/atommass.dat
 325 /usr/local/gromacs/top/bromacs.dat
 326 /usr/local/gromacs/top/ca-shift.dat
 327 /usr/local/gromacs/top/cb-shift.dat
 328 /usr/local/gromacs/top/co-shift.dat
 329 /usr/local/gromacs/top/edissoc.dat
 330 /usr/local/gromacs/top/gurgle.dat
 331 /usr/local/gromacs/top/ha-shift.dat
 332 /usr/local/gromacs/top/links.dat
 333 /usr/local/gromacs/top/phbres.dat
 334 /usr/local/gromacs/top/random.dat
 335 /usr/local/gromacs/top/refi_aa.dat
 336 /usr/local/gromacs/top/specbond.dat
 337 /usr/local/gromacs/top/surface.dat
 338 /usr/local/gromacs/top/vdwradii.dat
 339 /usr/local/gromacs/top/xlateat.dat
 340 /usr/local/gromacs/top/export.dlg
 341 /usr/local/gromacs/top/bonds.dlg
 342 /usr/local/gromacs/top/ss.map
 343 /usr/local/gromacs/top/ps.m2p
 344 /usr/local/gromacs/top/table6-10.xvg
 345 /usr/local/gromacs/top/table6-11.xvg
 346 /usr/local/gromacs/top/table6-12.xvg
 347 /usr/local/gromacs/top/table6-8.xvg
 348 /usr/local/gromacs/top/table6-9.xvg
 349 # examples
 350 /usr/local/gromacs/share/tutor/cleanit
 351 /usr/local/gromacs/share/tutor/gmxdemo/cpeptide.pdb
 352 /usr/local/gromacs/share/tutor/gmxdemo/demo
 353 /usr/local/gromacs/share/tutor/gmxdemo/demo
 354 /usr/local/gromacs/share/tutor/nmr1/conf.gro
 355 /usr/local/gromacs/share/tutor/nmr1/grompp.mdp
 356 /usr/local/gromacs/share/tutor/nmr1/pep.pdb
 357 /usr/local/gromacs/share/tutor/nmr1/topol.top
 358 /usr/local/gromacs/share/tutor/nmr2/conf.gro
 359 /usr/local/gromacs/share/tutor/nmr2/grompp.mdp
 360 /usr/local/gromacs/share/tutor/nmr2/pep.pdb
 361 /usr/local/gromacs/share/tutor/nmr2/topol.top
 362 /usr/local/gromacs/share/tutor/nmr2/genconf.gcp
 363 /usr/local/gromacs/share/tutor/water/water.top
 364 /usr/local/gromacs/share/tutor/water/water.mdp
 365 /usr/local/gromacs/share/tutor/water/spc216.gro
 366 /usr/local/gromacs/share/tutor/water/spc216.pdb
 367 /usr/local/gromacs/share/tutor/water/oxygen.ndx
 368 /usr/local/gromacs/share/tutor/speptide/speptide.pdb
 369 /usr/local/gromacs/share/tutor/speptide/pr.mdp
 370 /usr/local/gromacs/share/tutor/speptide/em.mdp
 371 /usr/local/gromacs/share/tutor/speptide/full.mdp
 372 # manual pages
 373 /usr/local/gromacs/man/
 374 /usr/local/gromacs/man/man1/
 375 /usr/local/gromacs/man/man1/g_dih.1
 376 /usr/local/gromacs/man/man1/g_msd.1
 377 /usr/local/gromacs/man/man1/g_tcaf.1
 378 /usr/local/gromacs/man/man1/nmrun.1
 379 /usr/local/gromacs/man/man1/do_dssp.1
 380 /usr/local/gromacs/man/man1/g_dipoles.1
 381 /usr/local/gromacs/man/man1/g_nmeig.1
 382 /usr/local/gromacs/man/man1/g_traj.1
 383 /usr/local/gromacs/man/man1/pdb2gmx.1
 384 /usr/local/gromacs/man/man1/editconf.1
 385 /usr/local/gromacs/man/man1/g_disre.1
 386 /usr/local/gromacs/man/man1/g_nmens.1
 387 /usr/local/gromacs/man/man1/g_velacc.1
 388 /usr/local/gromacs/man/man1/protonate.1
 389 /usr/local/gromacs/man/man1/eneconv.1
 390 /usr/local/gromacs/man/man1/g_dist.1
 391 /usr/local/gromacs/man/man1/g_order.1
 392 /usr/local/gromacs/man/man1/genbox.1
 393 /usr/local/gromacs/man/man1/tpbconv.1
 394 /usr/local/gromacs/man/man1/g_anaeig.1
 395 /usr/local/gromacs/man/man1/g_dyndom.1
 396 /usr/local/gromacs/man/man1/g_potential.1
 397 /usr/local/gromacs/man/man1/genconf.1
 398 /usr/local/gromacs/man/man1/trjcat.1
 399 /usr/local/gromacs/man/man1/g_analyze.1
 400 /usr/local/gromacs/man/man1/g_enemat.1
 401 /usr/local/gromacs/man/man1/g_rama.1
 402 /usr/local/gromacs/man/man1/genion.1
 403 /usr/local/gromacs/man/man1/trjconv.1
 404 /usr/local/gromacs/man/man1/g_angle.1
 405 /usr/local/gromacs/man/man1/g_energy.1
 406 /usr/local/gromacs/man/man1/g_rdf.1
 407 /usr/local/gromacs/man/man1/genpr.1
 408 /usr/local/gromacs/man/man1/trjorder.1
 409 /usr/local/gromacs/man/man1/g_bond.1
 410 /usr/local/gromacs/man/man1/g_gyrate.1
 411 /usr/local/gromacs/man/man1/g_rms.1
 412 /usr/local/gromacs/man/man1/gmxcheck.1
 413 /usr/local/gromacs/man/man1/wheel.1
 414 /usr/local/gromacs/man/man1/g_bundle.1
 415 /usr/local/gromacs/man/man1/g_h2order.1
 416 /usr/local/gromacs/man/man1/g_rmsdist.1
 417 /usr/local/gromacs/man/man1/gmxdump.1
 418 /usr/local/gromacs/man/man1/x2top.1
 419 /usr/local/gromacs/man/man1/g_chi.1
 420 /usr/local/gromacs/man/man1/g_hbond.1
 421 /usr/local/gromacs/man/man1/g_rmsf.1
 422 /usr/local/gromacs/man/man1/grompp.1
 423 /usr/local/gromacs/man/man1/xpm2ps.1
 424 /usr/local/gromacs/man/man1/g_cluster.1
 425 /usr/local/gromacs/man/man1/g_helix.1
 426 /usr/local/gromacs/man/man1/g_rotacf.1
 427 /usr/local/gromacs/man/man1/highway.1
 428 /usr/local/gromacs/man/man1/xrama.1
 429 /usr/local/gromacs/man/man1/g_confrms.1
 430 /usr/local/gromacs/man/man1/g_lie.1
 431 /usr/local/gromacs/man/man1/g_saltbr.1
 432 /usr/local/gromacs/man/man1/make_ndx.1
 433 /usr/local/gromacs/man/man1/g_covar.1
 434 /usr/local/gromacs/man/man1/g_mdmat.1
 435 /usr/local/gromacs/man/man1/g_sas.1
 436 /usr/local/gromacs/man/man1/mdrun.1
 437 /usr/local/gromacs/man/man1/g_density.1
 438 /usr/local/gromacs/man/man1/g_mindist.1
 439 /usr/local/gromacs/man/man1/g_sgangle.1
 440 /usr/local/gromacs/man/man1/mk_angndx.1
 441 /usr/local/gromacs/man/man1/g_morph.1
 442 /usr/local/gromacs/man/man1/g_sorient.1
 443 /usr/local/gromacs/man/man1/ngmx.1
 444 /usr/local/gromacs/man/man1/g_dielectric.1
 445 # html pages
 446 /usr/local/gromacs/html/
 447 /usr/local/gromacs/html/gmxfaq.html
 448 /usr/local/gromacs/html/online.html
 449 /usr/local/gromacs/html/gif/
 450 /usr/local/gromacs/html/gif/annealdn.gif
 451 /usr/local/gromacs/html/gif/features.gif
 452 /usr/local/gromacs/html/gif/flow_leftrightup.gif
 453 /usr/local/gromacs/html/gif/flow_vrule.gif
 454 /usr/local/gromacs/html/gif/annealup.gif
 455 /usr/local/gromacs/html/gif/flow_down.gif
 456 /usr/local/gromacs/html/gif/flow_leftup.gif
 457 /usr/local/gromacs/html/gif/links.gif
 458 /usr/local/gromacs/html/gif/articles.gif
 459 /usr/local/gromacs/html/gif/flow_downleft.gif
 460 /usr/local/gromacs/html/gif/flow_right+left.gif
 461 /usr/local/gromacs/html/gif/mail.gif
 462 /usr/local/gromacs/html/gif/bench.gif
 463 /usr/local/gromacs/html/gif/flow_hline.gif
 464 /usr/local/gromacs/html/gif/flow_right.gif
 465 /usr/local/gromacs/html/gif/manual.gif
 466 /usr/local/gromacs/html/gif/charts_down.gif
 467 /usr/local/gromacs/html/gif/flow_left.gif
 468 /usr/local/gromacs/html/gif/flow_rightleftdown.gif
 469 /usr/local/gromacs/html/gif/rainbow.gif
 470 /usr/local/gromacs/html/gif/charts_up.gif
 471 /usr/local/gromacs/html/gif/flow_leftright.gif
 472 /usr/local/gromacs/html/gif/flow_uprightleft.gif
 473 /usr/local/gromacs/html/gif/software.gif
 474 /usr/local/gromacs/html/gif/faq.gif
 475 /usr/local/gromacs/html/gif/flow_leftrightdown.gif
 476 /usr/local/gromacs/html/gif/flow_vline.gif
 477 /usr/local/gromacs/html/gif/topologies.gif
 478 /usr/local/gromacs/html/gif/plotje.gif
 479 /usr/local/gromacs/html/gif/xvgr.gif
 480 /usr/local/gromacs/html/online/
 481 /usr/local/gromacs/html/online/edo.html
 482 /usr/local/gromacs/html/online/g96.html
 483 /usr/local/gromacs/html/online/log.html
 484 /usr/local/gromacs/html/online/options.html
 485 /usr/local/gromacs/html/online/tpa.html
 486 /usr/local/gromacs/html/online/xvg.html
 487 /usr/local/gromacs/html/online/edr.html
 488 /usr/local/gromacs/html/online/m2p.html
 489 /usr/local/gromacs/html/online/getting_started.html
 490 /usr/local/gromacs/html/online/out.html
 491 /usr/local/gromacs/html/online/tpb.html
 492 /usr/local/gromacs/html/online/ene.html
 493 /usr/local/gromacs/html/online/gro.html
 494 /usr/local/gromacs/html/online/map.html
 495 /usr/local/gromacs/html/online/tpr.html
 496 /usr/local/gromacs/html/online/eps.html
 497 /usr/local/gromacs/html/online/hat.html
 498 /usr/local/gromacs/html/online/mdp.html
 499 /usr/local/gromacs/html/online/xtc.html
 500 /usr/local/gromacs/html/online/top.html
 501 /usr/local/gromacs/html/online/pdb.html
 502 /usr/local/gromacs/html/online/trj.html
 503 /usr/local/gromacs/html/online/dat.html
 504 /usr/local/gromacs/html/online/files.html
 505 /usr/local/gromacs/html/online/mdp_opt.html
 506 /usr/local/gromacs/html/online/rtp.html
 507 /usr/local/gromacs/html/online/include_bot.html
 508 /usr/local/gromacs/html/online/trr.html
 509 /usr/local/gromacs/html/online/dlg.html
 510 /usr/local/gromacs/html/online/flow.html
 511 /usr/local/gromacs/html/online/mtx.html
 512 /usr/local/gromacs/html/online/tex.html
 513 /usr/local/gromacs/html/online/include_top.html
 514 /usr/local/gromacs/html/online/xpm.html
 515 /usr/local/gromacs/html/online/edi.html
 516 /usr/local/gromacs/html/online/g87.html
 517 /usr/local/gromacs/html/online/itp.html
 518 /usr/local/gromacs/html/online/ndx.html
 519 /usr/local/gromacs/html/online/style.css
 520 /usr/local/gromacs/html/style.css
 521 # dynamic libraries
 522 /usr/local/gromacs/lib/i686-pc-linux-gnu/libgmx.so.1.0.0
 523 /usr/local/gromacs/lib/i686-pc-linux-gnu/libmd.so.1.0.0
 524 /usr/local/gromacs/lib/i686-pc-linux-gnu/libgmx.so.1
 525 /usr/local/gromacs/lib/i686-pc-linux-gnu/libmd.so.1
 526
 527 #
 528 # The header files and static libraries go into gromacs-dev...
 529 #
 530
 531 %files dev
 532 # include headers
 533 /usr/local/gromacs/include/
 534 /usr/local/gromacs/include/3dview.h
 535 /usr/local/gromacs/include/do_md.h
 536 /usr/local/gromacs/include/invblock.h
 537 /usr/local/gromacs/include/nrjac.h
 538 /usr/local/gromacs/include/rwtop.h
 539 /usr/local/gromacs/include/tpxio.h
 540 /usr/local/gromacs/include/assert.h
 541 /usr/local/gromacs/include/do_nm.h
 542 /usr/local/gromacs/include/javaio.h
 543 /usr/local/gromacs/include/nrnb.h
 544 /usr/local/gromacs/include/sheader.h
 545 /usr/local/gromacs/include/transfer.h
 546 /usr/local/gromacs/include/atomprop.h
 547 /usr/local/gromacs/include/dummies.h
 548 /usr/local/gromacs/include/list.h
 549 /usr/local/gromacs/include/ns.h
 550 /usr/local/gromacs/include/shift.h
 551 /usr/local/gromacs/include/trnio.h
 552 /usr/local/gromacs/include/axp_asm.h
 553 /usr/local/gromacs/include/ebin.h
 554 /usr/local/gromacs/include/macros.h
 555 /usr/local/gromacs/include/nsb.h
 556 /usr/local/gromacs/include/shift_util.h
 557 /usr/local/gromacs/include/txtdump.h
 558 /usr/local/gromacs/include/binio.h
 559 /usr/local/gromacs/include/edsam.h
 560 /usr/local/gromacs/include/magic.h
 561 /usr/local/gromacs/include/nsgrid.h
 562 /usr/local/gromacs/include/sim_util.h
 563 /usr/local/gromacs/include/typedefs.h
 564 /usr/local/gromacs/include/block_tx.h
 565 /usr/local/gromacs/include/enxio.h
 566 /usr/local/gromacs/include/main.h
 567 /usr/local/gromacs/include/pbc.h
 568 /usr/local/gromacs/include/smalloc.h
 569 /usr/local/gromacs/include/update.h
 570 /usr/local/gromacs/include/bondf.h
 571 /usr/local/gromacs/include/ewald.h
 572 /usr/local/gromacs/include/maths.h
 573 /usr/local/gromacs/include/pdbio.h
 574 /usr/local/gromacs/include/sortwater.h
 575 /usr/local/gromacs/include/utils.h
 576 /usr/local/gromacs/include/buffer.h
 577 /usr/local/gromacs/include/ewald_util.h
 578 /usr/local/gromacs/include/matio.h
 579 /usr/local/gromacs/include/pdebug.h
 580 /usr/local/gromacs/include/split.h
 581 /usr/local/gromacs/include/vcm.h
 582 /usr/local/gromacs/include/calcgrid.h
 583 /usr/local/gromacs/include/fatal.h
 584 /usr/local/gromacs/include/mdatoms.h
 585 /usr/local/gromacs/include/physics.h
 586 /usr/local/gromacs/include/vec.h
 587 /usr/local/gromacs/include/calch.h
 588 /usr/local/gromacs/include/ffscanf.h
 589 /usr/local/gromacs/include/mdebin.h
 590 /usr/local/gromacs/include/pme.h
 591 /usr/local/gromacs/include/statusio.h
 592 /usr/local/gromacs/include/viewit.h
 593 /usr/local/gromacs/include/calcmu.h
 594 /usr/local/gromacs/include/fftgrid.h
 595 /usr/local/gromacs/include/mdrun.h
 596 /usr/local/gromacs/include/pppm.h
 597 /usr/local/gromacs/include/statutil.h
 598 /usr/local/gromacs/include/vveclib.h
 599 /usr/local/gromacs/include/callf77.h
 600 /usr/local/gromacs/include/fftw_wrapper.h
 601 /usr/local/gromacs/include/memdump.h
 602 /usr/local/gromacs/include/princ.h
 603 /usr/local/gromacs/include/steep.h
 604 /usr/local/gromacs/include/wgms.h
 605 /usr/local/gromacs/include/filenm.h
 606 /usr/local/gromacs/include/memtab.h
 607 /usr/local/gromacs/include/pull.h
 608 /usr/local/gromacs/include/strdb.h
 609 /usr/local/gromacs/include/wman.h
 610 /usr/local/gromacs/include/comlib.h
 611 /usr/local/gromacs/include/force.h
 612 /usr/local/gromacs/include/memtest.h
 613 /usr/local/gromacs/include/string2.h
 614 /usr/local/gromacs/include/writeps.h
 615 /usr/local/gromacs/include/complex.h
 616 /usr/local/gromacs/include/futil.h
 617 /usr/local/gromacs/include/metacode.h
 618 /usr/local/gromacs/include/random.h
 619 /usr/local/gromacs/include/struc2.h
 620 /usr/local/gromacs/include/x86_3dnow.h
 621 /usr/local/gromacs/include/comtest.h
 622 /usr/local/gromacs/include/gbutil.h
 623 /usr/local/gromacs/include/mpiio.h
 624 /usr/local/gromacs/include/rbin.h
 625 /usr/local/gromacs/include/superb.h
 626 /usr/local/gromacs/include/x86_cpu.h
 627 /usr/local/gromacs/include/tgroup.h
 628 /usr/local/gromacs/include/general.h
 629 /usr/local/gromacs/include/mshift.h
 630 /usr/local/gromacs/include/rdgroup.h
 631 /usr/local/gromacs/include/symtab.h
 632 /usr/local/gromacs/include/x86_sse.h
 633 /usr/local/gromacs/include/confio.h
 634 /usr/local/gromacs/include/gmxfio.h
 635 /usr/local/gromacs/include/mvdata.h
 636 /usr/local/gromacs/include/rdklib.h
 637 /usr/local/gromacs/include/sync.h
 638 /usr/local/gromacs/include/xdrf.h
 639 /usr/local/gromacs/include/constr.h
 640 /usr/local/gromacs/include/grompp.h
 641 /usr/local/gromacs/include/names.h
 642 /usr/local/gromacs/include/readcomp.h
 643 /usr/local/gromacs/include/synclib.h
 644 /usr/local/gromacs/include/xtcio.h
 645 /usr/local/gromacs/include/copyrite.h
 646 /usr/local/gromacs/include/gstat.h
 647 /usr/local/gromacs/include/network.h
 648 /usr/local/gromacs/include/readinp.h
 649 /usr/local/gromacs/include/sysstuff.h
 650 /usr/local/gromacs/include/xvgr.h
 651 /usr/local/gromacs/include/delay.h
 652 /usr/local/gromacs/include/index.h
 653 /usr/local/gromacs/include/nhash.h
 654 /usr/local/gromacs/include/renum.h
 655 /usr/local/gromacs/include/systest.h
 656 /usr/local/gromacs/include/disre.h
 657 /usr/local/gromacs/include/init.h
 658 /usr/local/gromacs/include/nr.h
 659 /usr/local/gromacs/include/reorder.h
 660 /usr/local/gromacs/include/tags.h
 661 /usr/local/gromacs/include/do_fit.h
 662 /usr/local/gromacs/include/nrama.h
 663 /usr/local/gromacs/include/rmpbc.h
 664 /usr/local/gromacs/include/types/
 665 /usr/local/gromacs/include/types/atoms.h
 666 /usr/local/gromacs/include/types/edsams.h
 667 /usr/local/gromacs/include/types/forcerec.h
 668 /usr/local/gromacs/include/types/ifunc.h
 669 /usr/local/gromacs/include/types/mdatom.h
 670 /usr/local/gromacs/include/types/nsborder.h
 671 /usr/local/gromacs/include/types/simple.h
 672 /usr/local/gromacs/include/types/block.h
 673 /usr/local/gromacs/include/types/energy.h
 674 /usr/local/gromacs/include/types/graph.h
 675 /usr/local/gromacs/include/types/inputrec.h
 676 /usr/local/gromacs/include/types/nblist.h
 677 /usr/local/gromacs/include/types/nsgrid.h
 678 /usr/local/gromacs/include/types/symtab.h
 679 /usr/local/gromacs/include/types/commrec.h
 680 /usr/local/gromacs/include/types/enums.h
 681 /usr/local/gromacs/include/types/group.h
 682 /usr/local/gromacs/include/types/ishift.h
 683 /usr/local/gromacs/include/types/nbslist.h
 684 /usr/local/gromacs/include/types/parm.h
 685 /usr/local/gromacs/include/types/topology.h
 686 /usr/local/gromacs/include/types/drblock.h
 687 /usr/local/gromacs/include/types/filenm.h
 688 /usr/local/gromacs/include/types/idef.h
 689 /usr/local/gromacs/include/types/matrix.h
 690 /usr/local/gromacs/include/types/nrnb.h
 691 /usr/local/gromacs/include/types/pulls.h
 692 /usr/local/gromacs/include/types/trx.h
 693 /usr/local/gromacs/share/template/template.c
 694 /usr/local/gromacs/share/template/README
 695 /usr/local/gromacs/share/template/Makefile
 696 /usr/local/gromacs/lib/i686-pc-linux-gnu/libgmx.a
 697 /usr/local/gromacs/lib/i686-pc-linux-gnu/libmd.a
 698 /usr/local/gromacs/lib/i686-pc-linux-gnu/libgmx.la
 699 /usr/local/gromacs/lib/i686-pc-linux-gnu/libmd.la
 700 /usr/local/gromacs/lib/i686-pc-linux-gnu/libgmx.so
 701 /usr/local/gromacs/lib/i686-pc-linux-gnu/libmd.so
 702