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Port details
quantum-espresso Package for research in electronic structure, simulation, optimization
6.7.0 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 View this port on Repology. pkg-fallout 6.7.0Version of this port present on the latest quarterly branch.
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2018-07-18 21:52:13
Last Update: 2021-04-07 08:09:01
Commit Hash: cf118cc
License: GPLv2
Description:
SVNWeb : git : Homepage
pkg-plist: as obtained via: make generate-plist
Expand this list (79 items)
Collapse this list.
  1. /usr/local/share/licenses/quantum-espresso-6.7.0/catalog.mk
  2. /usr/local/share/licenses/quantum-espresso-6.7.0/LICENSE
  3. /usr/local/share/licenses/quantum-espresso-6.7.0/GPLv2
  4. bin/alpha2f.x
  5. bin/average.x
  6. bin/bands.x
  7. bin/bse_main.x
  8. bin/cell2ibrav.x
  9. bin/cp.x
  10. bin/cppp.x
  11. bin/dos.x
  12. bin/dvscf_q2r.x
  13. bin/dynmat.x
  14. bin/epa.x
  15. bin/epsilon.x
  16. bin/ev.x
  17. bin/fermi_proj.x
  18. bin/fermi_velocity.x
  19. bin/fqha.x
  20. bin/fs.x
  21. bin/gww.x
  22. bin/gww_fit.x
  23. bin/head.x
  24. bin/hp.x
  25. bin/ibrav2cell.x
  26. bin/initial_state.x
  27. bin/kpoints.x
  28. bin/lambda.x
  29. bin/ld1.x
  30. bin/manycp.x
  31. bin/matdyn.x
  32. bin/molecularnexafs.x
  33. bin/molecularpdos.x
  34. bin/neb.x
  35. bin/open_grid.x
  36. bin/path_interpolation.x
  37. bin/pawplot.x
  38. bin/ph.x
  39. bin/phcg.x
  40. bin/plan_avg.x
  41. bin/plotband.x
  42. bin/plotproj.x
  43. bin/plotrho.x
  44. bin/pmw.x
  45. bin/postahc.x
  46. bin/pp.x
  47. bin/ppacf.x
  48. bin/projwfc.x
  49. bin/pw.x
  50. bin/pw2bgw.x
  51. bin/pw2critic.x
  52. bin/pw2gw.x
  53. bin/pw2wannier90.x
  54. bin/pw4gww.x
  55. bin/pwcond.x
  56. bin/pwi2xsf.x
  57. bin/q2qstar.x
  58. bin/q2r.x
  59. bin/scan_ibrav.x
  60. bin/simple.x
  61. bin/simple_bse.x
  62. bin/simple_ip.x
  63. bin/spectra_correction.x
  64. bin/sumpdos.x
  65. bin/turbo_davidson.x
  66. bin/turbo_eels.x
  67. bin/turbo_lanczos.x
  68. bin/turbo_spectrum.x
  69. bin/upfconv.x
  70. bin/virtual_v2.x
  71. bin/wannier_ham.x
  72. bin/wannier_plot.x
  73. bin/wfck2r.x
  74. bin/wfdd.x
  75. bin/xctest_qe_libxc.x
  76. bin/xspectra.x
  77. @owner
  78. @group
  79. @mode
Collapse this list.
Dependency lines:
  • quantum-espresso>0:science/quantum-espresso
To install the port: cd /usr/ports/science/quantum-espresso/ && make install clean
To add the package, run one of these commands:
  • pkg install science/quantum-espresso
  • pkg install quantum-espresso
PKGNAME: quantum-espresso
Flavors: there is no flavor information for this port.
distinfo:
Packages (timestamps in pop-ups are UTC):
quantum-espresso
ABIlatestquarterly
FreeBSD:11:aarch646.3_36.5
FreeBSD:11:amd646.7.06.7.0
FreeBSD:11:armv6--
FreeBSD:11:i386--
FreeBSD:11:mips--
FreeBSD:11:mips64--
FreeBSD:12:aarch646.3_36.7.0
FreeBSD:12:amd646.7.06.7.0
FreeBSD:12:armv6--
FreeBSD:12:armv7--
FreeBSD:12:i386--
FreeBSD:12:mips--
FreeBSD:12:mips64--
FreeBSD:12:powerpc64--
FreeBSD:13:aarch646.7.06.7.0
FreeBSD:13:amd646.7.06.7.0
FreeBSD:13:armv6--
FreeBSD:13:armv7--
FreeBSD:13:i386--
FreeBSD:13:mips--
FreeBSD:13:mips64--
FreeBSD:13:powerpc64-6.7.0
FreeBSD:14:aarch646.7.0-
FreeBSD:14:amd646.7.0-
FreeBSD:14:armv6--
FreeBSD:14:armv7--
FreeBSD:14:i386--
FreeBSD:14:mips--
FreeBSD:14:mips64--
FreeBSD:14:powerpc646.7.0-
 

Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. fox-xml>0 : textproc/fox-xml
  2. bash : shells/bash
  3. gfortran10 : lang/gcc10
  4. gmake>=4.3 : devel/gmake
  5. python3.8 : lang/python38
  6. as : devel/binutils
Runtime dependencies:
  1. gfortran10 : lang/gcc10
  2. python3.8 : lang/python38
Library dependencies:
  1. libmpich.so : net/mpich
  2. libblas.so : math/blas
  3. liblapack.so : math/lapack
This port is required by:
for Build
  1. science/quantum-espresso-pseudopotentials
for Run
  1. science/quantum-espresso-pseudopotentials

Configuration Options:
Options name:

USES:

FreshPorts was unable to extract/find any pkg message
Master Sites:
Expand this list (1 items)
Collapse this list.
  1. https://codeload.github.com/QEF/q-e/tar.gz/qe-6.7.0?dummy=/
Collapse this list.

Number of commits found: 16

Commit History - (may be incomplete: see SVNWeb link above for full details)
DateByDescription
07 Apr 2021 08:09:01
 files touched by this commit commit hash:cf118ccf875508b9a1c570044c93cfcc82bd455c  6.7.0
mat search for other commits by this committer
One more small cleanup, forgotten yesterday.
Reported by:	lwhsu
06 Apr 2021 14:31:07
 files touched by this commit commit hash:305f148f482daf30dcf728039d03d019f88344eb  6.7.0
mat search for other commits by this committer
Remove # $FreeBSD$ from Makefiles.
03 Dec 2020 20:51:29
Original commit files touched by this commit Revision:556926  6.7.0
yuri search for other commits by this committer
science/quantum-espresso: Update 6.6 -> 6.7.0

Reported by:	portscout
16 Nov 2020 04:05:31
Original commit files touched by this commit Revision:555449  6.6
yuri search for other commits by this committer
science/quantum-espresso: Update 6.5 -> 6.6
31 Dec 2019 19:33:00
Original commit files touched by this commit Revision:521650  6.5
yuri search for other commits by this committer
science/quantum-espresso: Update 6.4.1 -> 6.5

Reported by:	portscout
26 Jul 2019 20:46:57
Original commit files touched by this commit Revision:507372  6.4.1_2
gerald search for other commits by this committer
Bump PORTREVISION for ports depending on the canonical version of GCC
as defined in Mk/bsd.default-versions.mk which has moved from GCC 8.3
to GCC 9.1 under most circumstances now after revision 507371.

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, everything INDEX-11 shows with a dependency on lang/gcc9 now.

PR:		238330
22 Apr 2019 13:16:34
Original commit files touched by this commit Revision:499638  6.4.1_1
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
09 Apr 2019 06:25:11
Original commit files touched by this commit Revision:498452  6.4.1
yuri search for other commits by this committer
science/quantum-espresso: Update 6.4 -> 6.4.1

Reported by:	portscout
29 Mar 2019 23:06:42
Original commit files touched by this commit Revision:497223  6.4
linimon search for other commits by this committer
Mark broken on armv*:

  gfortran8: error: iotk_base_tmp.f90: No such file or directory

Approved by:	portmgr (tier-2 blanket)
06 Mar 2019 03:17:45
Original commit files touched by this commit Revision:494762  6.4
yuri search for other commits by this committer
science/quantum-espresso: Update 6.3 -> 6.4

Reported by:	portscout
12 Dec 2018 01:35:36
Original commit files touched by this commit Revision:487272  6.3_5
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
21 Nov 2018 22:37:49
Original commit files touched by this commit Revision:485565  6.3_4
yuri search for other commits by this committer
science/quantum-espresso: Remove pseudopotentials

A more complete set of pseudopotentials is now in
the separate port science/quantum-espresso-pseudopotentials
that normally needs to be installed in addition to
this port.
22 Sep 2018 16:36:38
Original commit files touched by this commit Revision:480395  6.3_3
yuri search for other commits by this committer
Change 20 ports from net/mpich2 to net/mpich

mpich2 is the obsolete version 2.x, mpich is at the current version 3.x

Ports:
math/scalapack science/nwchem science/quantum-espresso science/qmcpack
science/madness
science/qbox science/openmx science/jdftx science/fleur science/libgridxc
science/mdynamix science/lm science/dftbplus science/py-gpaw devel/ga
math/elpa net/charm science/gromacs math/pari math/arpack-ng-mpich
29 Jul 2018 22:18:46
Original commit files touched by this commit Revision:475857  6.3_2
gerald search for other commits by this committer
Bump PORTREVISION for ports depending on the canonical version of GCC
in the ports tree (via Mk/bsd.default-versions.mk and lang/gcc) which
has now moved from GCC 6 to GCC 7 by default.

This includes ports
 - featuring USE_GCC=yes or USE_GCC=any,
 - featuring USES=fortran,
 - using Mk/bsd.octave.mk which in turn features USES=fortran, and those
 - with USES=compiler specifying one of openmp, nestedfct, c11, c++0x,
   c++11-lib, c++11-lang, c++14-lang, c++17-lang, or gcc-c++11-lib.

PR:		222542
19 Jul 2018 10:18:07
Original commit files touched by this commit Revision:474956  6.3_1
yuri search for other commits by this committer
science/quantum-espresso: Add pseudo potential files because they are used in
all calculations

Port changes:
* Download and install all pseudo potential files that are mentioned in any
examples
* Remove ALL_TARGET - it had a default value
* Merge post-patch target into post-extract target
* Add the run-examples target
* Add DIST_SUBDIR because there are many distfiles
18 Jul 2018 21:47:12
Original commit files touched by this commit Revision:474904  6.3
yuri search for other commits by this committer
New port: science/quantum-espresso: Package for research in electronic
structure, simulation, optimization

Number of commits found: 16