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Port details
lammps Classical molecular dynamics code with a focus on materials modeling
2019.05.15 science on this many watch lists=0 search for ports that depend on this port Find issues related to this port Report an issue related to this port
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2018-09-06 06:31:43
Last Update: 2019-05-15 05:29:09
SVN Revision: 501685
License: GPLv2
LAMMPS is a classical molecular dynamics code with a focus on materials
modeling. It's an acronym for Large-scale Atomic/Molecular Massively Parallel
Simulator.

LAMMPS has potentials for solid-state materials (metals, semiconductors) and
soft matter (biomolecules, polymers) and coarse-grained or mesoscopic systems.
It can be used to model atoms or, more generically, as a parallel particle
simulator at the atomic, meso, or continuum scale.

LAMMPS runs on single processors or in parallel using message-passing techniques
and a spatial-decomposition of the simulation domain. Many of its models have
versions that provide accelerated performance on CPUs, GPUs, and Intel Xeon
Phis. The code is designed to be easy to modify or extend with new
functionality.

WWW: https://lammps.sandia.gov/
SVNWeb : Homepage
    Pseudo-pkg-plist information, but much better, from make generate-plist
    Expand this list (166 items)
  1. /usr/local/share/licenses/lammps-2019.05.15/catalog.mk
  2. /usr/local/share/licenses/lammps-2019.05.15/LICENSE
  3. /usr/local/share/licenses/lammps-2019.05.15/GPLv2
  4. bin/lmp
  5. bin/msi2lmp
  6. etc/profile.d/lammps.csh
  7. etc/profile.d/lammps.sh
  8. man/man1/lmp.1.gz
  9. man/man1/msi2lmp.1.gz
  10. share/lammps/frc_files/README
  11. share/lammps/frc_files/cff91.frc
  12. share/lammps/frc_files/clayff.frc
  13. share/lammps/frc_files/compass_published.frc
  14. share/lammps/frc_files/cvff.frc
  15. share/lammps/frc_files/cvff_aug.frc
  16. share/lammps/frc_files/oplsaa.frc
  17. share/lammps/frc_files/pcff.frc
  18. share/lammps/frc_files/pcff.rlb
  19. share/lammps/frc_files/pcff_templates.dat
  20. share/lammps/potentials/Ag_u3.eam
  21. share/lammps/potentials/AlCu.adp
  22. share/lammps/potentials/AlCu.bop.table
  23. share/lammps/potentials/AlCu.eam.alloy
  24. share/lammps/potentials/AlFe_mm.eam.fs
  25. share/lammps/potentials/AlO.eam.alloy
  26. share/lammps/potentials/AlO.streitz
  27. share/lammps/potentials/AlSiMgCuFe.meam
  28. share/lammps/potentials/Al_jnp.eam
  29. share/lammps/potentials/Al_jpc.agni
  30. share/lammps/potentials/Al_mm.eam.fs
  31. share/lammps/potentials/Al_prb.agni
  32. share/lammps/potentials/Al_zhou.eam.alloy
  33. share/lammps/potentials/Au_u3.eam
  34. share/lammps/potentials/BN.extep
  35. share/lammps/potentials/BNC.tersoff
  36. share/lammps/potentials/BNCH-old.ILP
  37. share/lammps/potentials/BNCH.ILP
  38. share/lammps/potentials/C.drip
  39. share/lammps/potentials/C.lcbop
  40. share/lammps/potentials/CC.KC
  41. share/lammps/potentials/CC.KC-full
  42. share/lammps/potentials/CC.Lebedeva
  43. share/lammps/potentials/CCu_v2.bop.table
  44. share/lammps/potentials/CH.KC
  45. share/lammps/potentials/CH.airebo
  46. share/lammps/potentials/CH.airebo-m
  47. share/lammps/potentials/CH.rebo
  48. share/lammps/potentials/CH_taper.KC
  49. share/lammps/potentials/CdTe.bop.table
  50. share/lammps/potentials/CdTe.sw
  51. share/lammps/potentials/CdTeSe.bop.table
  52. share/lammps/potentials/CdTeZnSeHgS0.sw
  53. share/lammps/potentials/CdZnTe_v1.bop.table
  54. share/lammps/potentials/CdZnTe_v2.bop.table
  55. share/lammps/potentials/CoAl.eam.alloy
  56. share/lammps/potentials/Cu.meam
  57. share/lammps/potentials/CuH.bop.table
  58. share/lammps/potentials/CuNi.eam.alloy
  59. share/lammps/potentials/CuTa.eam.alloy
  60. share/lammps/potentials/CuTa_eam.poly
  61. share/lammps/potentials/CuZr_mm.eam.fs
  62. share/lammps/potentials/Cu_mishin1.eam.alloy
  63. share/lammps/potentials/Cu_smf7.eam
  64. share/lammps/potentials/Cu_u3.eam
  65. share/lammps/potentials/Cu_u6.eam
  66. share/lammps/potentials/Cu_zhou.eam.alloy
  67. share/lammps/potentials/FeCr.cdeam
  68. share/lammps/potentials/FeP_mm.eam.fs
  69. share/lammps/potentials/Fe_mm.eam.fs
  70. share/lammps/potentials/GaAs.bop.table
  71. share/lammps/potentials/GaN.sw
  72. share/lammps/potentials/GaN.tersoff
  73. share/lammps/potentials/GaN_sw.poly
  74. share/lammps/potentials/GaN_tersoff.poly
  75. share/lammps/potentials/Ge.tersoff
  76. share/lammps/potentials/He_He_JW2013.table
  77. share/lammps/potentials/InP.vashishta
  78. share/lammps/potentials/MOH.nb3b.harmonic
  79. share/lammps/potentials/Mg_mm.eam.fs
  80. share/lammps/potentials/Mo5.2.mgpt.README
  81. share/lammps/potentials/Mo5.2.mgpt.parmin
  82. share/lammps/potentials/Mo5.2.mgpt.potin
  83. share/lammps/potentials/Mo_Chen_PRM2017.snap
  84. share/lammps/potentials/Mo_Chen_PRM2017.snapcoeff
  85. share/lammps/potentials/Mo_Chen_PRM2017.snapparam
  86. share/lammps/potentials/Ni.adp
  87. share/lammps/potentials/Ni.meam
  88. share/lammps/potentials/NiAlH_jea.eam.alloy
  89. share/lammps/potentials/NiAlH_jea.eam.fs
  90. share/lammps/potentials/Ni_smf7.eam
  91. share/lammps/potentials/Ni_u3.eam
  92. share/lammps/potentials/Pd_u3.eam
  93. share/lammps/potentials/Pt_u3.eam
  94. share/lammps/potentials/README
  95. share/lammps/potentials/README.reax
  96. share/lammps/potentials/Si.b.meam.sw.spline
  97. share/lammps/potentials/Si.edip
  98. share/lammps/potentials/Si.sw
  99. share/lammps/potentials/Si.tersoff
  100. share/lammps/potentials/Si.tersoff.mod
  101. share/lammps/potentials/Si.tersoff.modc
  102. share/lammps/potentials/SiC.edip
  103. share/lammps/potentials/SiC.gw
  104. share/lammps/potentials/SiC.gw.zbl
  105. share/lammps/potentials/SiC.meam
  106. share/lammps/potentials/SiC.tersoff
  107. share/lammps/potentials/SiC.tersoff.zbl
  108. share/lammps/potentials/SiC.vashishta
  109. share/lammps/potentials/SiCGe.tersoff
  110. share/lammps/potentials/SiC_1989.tersoff
  111. share/lammps/potentials/SiC_1990.tersoff
  112. share/lammps/potentials/SiC_1994.tersoff
  113. share/lammps/potentials/SiC_Erhart-Albe.tersoff
  114. share/lammps/potentials/SiO.1990.vashishta
  115. share/lammps/potentials/SiO.1994.vashishta
  116. share/lammps/potentials/SiO.1997.vashishta
  117. share/lammps/potentials/SiO.tersoff
  118. share/lammps/potentials/Si_1.meam.spline
  119. share/lammps/potentials/Si_2.meam.spline
  120. share/lammps/potentials/Ta06A.snap
  121. share/lammps/potentials/Ta06A.snapcoeff
  122. share/lammps/potentials/Ta06A.snapparam
  123. share/lammps/potentials/Ta4.mgpt.README
  124. share/lammps/potentials/Ta4.mgpt.parmin
  125. share/lammps/potentials/Ta4.mgpt.potin
  126. share/lammps/potentials/Ta6.8x.mgpt.README
  127. share/lammps/potentials/Ta6.8x.mgpt.parmin
  128. share/lammps/potentials/Ta6.8x.mgpt.potin
  129. share/lammps/potentials/Ti.meam.spline
  130. share/lammps/potentials/Ti.meam.sw.spline
  131. share/lammps/potentials/TiO.meam.spline
  132. share/lammps/potentials/V6.1.mgpt.README
  133. share/lammps/potentials/V6.1.mgpt.parmin
  134. share/lammps/potentials/V6.1.mgpt.potin
  135. share/lammps/potentials/VFe_mm.eam.fs
  136. share/lammps/potentials/WL.meam
  137. share/lammps/potentials/W_2940_2017_2.snap
  138. share/lammps/potentials/W_2940_2017_2.snapcoeff
  139. share/lammps/potentials/W_2940_2017_2.snapparam
  140. share/lammps/potentials/W_2940_2017_2_He_JW2013.snap
  141. share/lammps/potentials/W_He_JW2013.table
  142. share/lammps/potentials/W_zhou.eam.alloy
  143. share/lammps/potentials/Zr_mm.eam.fs
  144. share/lammps/potentials/charmm22.cmap
  145. share/lammps/potentials/charmm36.cmap
  146. share/lammps/potentials/ci-reaxFF_ZBL.dat
  147. share/lammps/potentials/ffield.ci-reax.CH
  148. share/lammps/potentials/ffield.comb
  149. share/lammps/potentials/ffield.comb3
  150. share/lammps/potentials/ffield.eim
  151. share/lammps/potentials/ffield.reax.AB
  152. share/lammps/potentials/ffield.reax.AuO
  153. share/lammps/potentials/ffield.reax.FC
  154. share/lammps/potentials/ffield.reax.Fe_O_C_H
  155. share/lammps/potentials/ffield.reax.V_O_C_H
  156. share/lammps/potentials/ffield.reax.ZnOH
  157. share/lammps/potentials/ffield.reax.budzien
  158. share/lammps/potentials/ffield.reax.cho
  159. share/lammps/potentials/ffield.reax.lg
  160. share/lammps/potentials/ffield.reax.mattsson
  161. share/lammps/potentials/ffield.reax.rdx
  162. share/lammps/potentials/ffield.smtbq.Al
  163. share/lammps/potentials/ffield.smtbq.Al2O3
  164. share/lammps/potentials/ffield.smtbq.TiO2
  165. share/lammps/potentials/lib.comb3
  166. share/lammps/potentials/library.meam
  167. Collapse this list.
Dependency lines:
  • lammps>0:science/lammps
Conflicts:
  • CONFLICTS_BUILD:
    • ga
Conflicts Matches:
    There are no Conflicts Matches for this port. This is usually an error.

To install the port: cd /usr/ports/science/lammps/ && make install clean
To add the package: pkg install lammps

PKGNAME: lammps

There is no flavor information for this port.

distinfo:

TIMESTAMP = 1557885315
SHA256 (lammps-lammps-2019.05.15-patch_15May2019_GH0.tar.gz) = 88c1fb6dfe822956c5ee20c5ef238c0503ce35501e0f7822c0ac67593e38a731
SIZE (lammps-lammps-2019.05.15-patch_15May2019_GH0.tar.gz) = 106423786


NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.

Build dependencies:
  1. ffmpeg : multimedia/ffmpeg
  2. cmake : devel/cmake
  3. eigen3.pc : math/eigen3
  4. gfortran8 : lang/gcc8
  5. as : devel/binutils
Runtime dependencies:
  1. ffmpeg : multimedia/ffmpeg
  2. gfortran8 : lang/gcc8
Library dependencies:
  1. liblatte.so : science/latte
  2. libmpi.so : net/openmpi
  3. libomp.so : devel/openmp
  4. libpng16.so : graphics/png
  5. libvoro++.so : science/voro++
  6. libopenblas.so : math/openblas
  7. libjpeg.so : graphics/jpeg-turbo
There are no ports dependent upon this port

Configuration Options
===> The following configuration options are available for lammps-2019.05.15:
     FFMPEG=on: FFmpeg support (WMA, AIFF, AC3, APE...)
     GZIP=on
     JPEG=on: JPEG image format support
     LATTE=on: Use LATTE package
     PNG=on: PNG image format support
     VORONOI=on: Use voro++, Voronoi tessellation package
====> Enable parallelizations:
     MPI=on: MPI (Message Passing Interface) support
     OPENMP=on: Parallel processing support via OpenMP
===> Use 'make config' to modify these settings

USES:
blaslapack:openblas cmake:noninja eigen:3 fortran shebangfix jpeg localbase

Master Sites:
  1. https://codeload.github.com/lammps/lammps/tar.gz/patch_15May2019?dummy=/

Number of commits found: 15

Commit History - (may be incomplete: see SVNWeb link above for full details)
DateByDescription
15 May 2019 04:29:09
Original commit files touched by this commit  2019.05.15
Revision:501685
yuri search for other commits by this committer
science/lammps: Update patch_30Apr2019 -> patch_15May2019

Reported by:	github notification
08 May 2019 16:05:53
Original commit files touched by this commit  2019.04.30_1
Revision:501030
jbeich search for other commits by this committer
devel/openmp: phase out

- Expire after the last version without /usr/lib/libomp.so
- Drop SOVERSION for seamless transition (i.e., avoid conditionals)

PR:		236907
Approved by:	bapt (maintainer)
Differential Revision:	https://reviews.freebsd.org/D19767
01 May 2019 05:40:18
Original commit files touched by this commit  2019.04.30
Revision:500579
yuri search for other commits by this committer
science/lammps: Update patch_29Mar2019 -> patch_30Apr2019

Reported by:	github release notification
22 Apr 2019 13:16:34
Original commit files touched by this commit  2019.03.29_1
Revision:499638
gerald search for other commits by this committer
Related to revision 499061 bump ports with USES=fortran to have them
benefit from the improved situation where libgcc_s is only used when
absolutely necessary.

Suggested by:	tijl
31 Mar 2019 17:33:52
Original commit files touched by this commit  2019.03.29
Revision:497436
yuri search for other commits by this committer
science/lammps: Update 28Feb2019 -> 29Mar2019
20 Mar 2019 12:23:26
Original commit files touched by this commit  2019.02.28_2
Revision:496337
jbeich search for other commits by this committer
Switch to devel/llvm80 for DEFAULT_VERSIONS

PR:		235215
17 Mar 2019 17:32:58
Original commit files touched by this commit  2019.02.28_1
Revision:496076
yuri search for other commits by this committer
science/lammps: Update 12Dec2018 -> 28Feb2019
26 Dec 2018 09:06:35
Original commit files touched by this commit  2018.12.12_1
Revision:488363
tcberner search for other commits by this committer
Update math/eigen3 to 3.3.7

- http://eigen.tuxfamily.org/index.php?title=ChangeLog#Eigen_3.3.6
- http://eigen.tuxfamily.org/index.php?title=ChangeLog#Eigen_3.3.7
25 Dec 2018 20:25:40
Original commit files touched by this commit  2018.12.12
Revision:488341
tcberner search for other commits by this committer
Change cmake default behaviour to outsource.

Ports that build out of source now simply can use "USES=cmake"
instead of "USES=cmake:outsource". Ports that fail to build
out of source now need to specify "USES=cmake:insource".

I tried to only set insource where explictely needed.

PR:		232038
Exp-run by:	antoine
14 Dec 2018 01:28:24
Original commit files touched by this commit  2018.12.12
Revision:487401
yuri search for other commits by this committer
science/lammps: Update 22Aug2018 -> 12Dec2018

Reported by:	repology
12 Dec 2018 01:35:36
Original commit files touched by this commit  2018.08.22_3
Revision:487272
gerald search for other commits by this committer
Bump PORTREVISION for ports depending on the canonical version of GCC
defined via Mk/bsd.default-versions.mk which has moved from GCC 7.4 t
GCC 8.2 under most circumstances.

This includes ports
 - with USE_GCC=yes or USE_GCC=any,
 - with USES=fortran,
 - using Mk/bsd.octave.mk which in turn features USES=fortran, and
 - with USES=compiler specifying openmp, nestedfct, c11, c++0x, c++11-lang,
   c++11-lib, c++14-lang, c++17-lang, or gcc-c++11-lib
plus, as a double check, everything INDEX-11 showed depending on lang/gcc7.

PR:		231590
12 Nov 2018 08:41:11
Original commit files touched by this commit  2018.08.22_2
Revision:484791
yuri search for other commits by this committer
science/lammps: BROKEN on i386

Fix a few minor problems.
06 Nov 2018 21:31:42
Original commit files touched by this commit  2018.08.22_2
Revision:484356
yuri search for other commits by this committer
science/lammps: Add port options for additional functionality
06 Nov 2018 01:50:27
Original commit files touched by this commit  2018.08.22_1
Revision:484273
jbeich search for other commits by this committer
multimedia/ffmpeg: update to 4.1

Changes:	https://git.ffmpeg.org/gitweb/ffmpeg.git/blob/n4.1:/Changelog
ABI:		https://abi-laboratory.pro/tracker/timeline/ffmpeg/
06 Sep 2018 06:31:28
Original commit files touched by this commit  2018.08.22
Revision:479085
yuri search for other commits by this committer
New port: science/lammps: Classical molecular dynamics code with a focus on
materials modeling

Number of commits found: 15

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