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Port details
chemps2 Spin-adapted implementation of DMRG for ab initio quantum chemistry
1.8.9_5 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 1.8.9Version of this port present on the latest quarterly branch.
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2017-11-23 05:58:58
Last Update: 2020-01-30 14:17:44
SVN Revision: 524642
License: GPLv2
Description:
SVNWeb : Homepage
pkg-plist: as obtained via: make generate-plist
Expand this list (63 items)
  1. @ldconfig
  2. /usr/local/share/licenses/CheMPS2-1.8.9_5/catalog.mk
  3. /usr/local/share/licenses/CheMPS2-1.8.9_5/LICENSE
  4. /usr/local/share/licenses/CheMPS2-1.8.9_5/GPLv2
  5. bin/chemps2
  6. include/chemps2/CASPT2.h
  7. include/chemps2/CASSCF.h
  8. include/chemps2/ConjugateGradient.h
  9. include/chemps2/ConvergenceScheme.h
  10. include/chemps2/Correlations.h
  11. include/chemps2/Cumulant.h
  12. include/chemps2/DIIS.h
  13. include/chemps2/DMRG.h
  14. include/chemps2/DMRGSCFindices.h
  15. include/chemps2/DMRGSCFintegrals.h
  16. include/chemps2/DMRGSCFmatrix.h
  17. include/chemps2/DMRGSCFoptions.h
  18. include/chemps2/DMRGSCFrotations.h
  19. include/chemps2/DMRGSCFunitary.h
  20. include/chemps2/DMRGSCFwtilde.h
  21. include/chemps2/Davidson.h
  22. include/chemps2/EdmistonRuedenberg.h
  23. include/chemps2/Excitation.h
  24. include/chemps2/FCI.h
  25. include/chemps2/FourIndex.h
  26. include/chemps2/Hamiltonian.h
  27. include/chemps2/Heff.h
  28. include/chemps2/Initialize.h
  29. include/chemps2/Irreps.h
  30. include/chemps2/Lapack.h
  31. include/chemps2/MPIchemps2.h
  32. include/chemps2/Molden.h
  33. include/chemps2/MyHDF5.h
  34. include/chemps2/Options.h
  35. include/chemps2/Problem.h
  36. include/chemps2/Sobject.h
  37. include/chemps2/Special.h
  38. include/chemps2/SyBookkeeper.h
  39. include/chemps2/Tensor.h
  40. include/chemps2/Tensor3RDM.h
  41. include/chemps2/TensorF0.h
  42. include/chemps2/TensorF1.h
  43. include/chemps2/TensorGYZ.h
  44. include/chemps2/TensorKM.h
  45. include/chemps2/TensorL.h
  46. include/chemps2/TensorO.h
  47. include/chemps2/TensorOperator.h
  48. include/chemps2/TensorQ.h
  49. include/chemps2/TensorS0.h
  50. include/chemps2/TensorS1.h
  51. include/chemps2/TensorT.h
  52. include/chemps2/TensorX.h
  53. include/chemps2/ThreeDM.h
  54. include/chemps2/TwoDM.h
  55. include/chemps2/TwoIndex.h
  56. include/chemps2/Wigner.h
  57. lib/libchemps2.so
  58. lib/libchemps2.so.3
  59. share/cmake/CheMPS2/CheMPS2Config.cmake
  60. share/cmake/CheMPS2/CheMPS2ConfigVersion.cmake
  61. share/cmake/CheMPS2/CheMPS2Targets-shared-release.cmake
  62. share/cmake/CheMPS2/CheMPS2Targets-shared.cmake
  63. share/cmake/CheMPS2/FindTargetHDF5.cmake
Collapse this list.
Dependency lines:
  • CheMPS2>0:science/chemps2
To install the port: cd /usr/ports/science/chemps2/ && make install clean
To add the package: pkg install CheMPS2
PKGNAME: CheMPS2
Flavors: there is no flavor information for this port.
distinfo:

Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. cmake : devel/cmake
  2. gfortran9 : lang/gcc9
  3. as : devel/binutils
Runtime dependencies:
  1. gfortran9 : lang/gcc9
Library dependencies:
  1. libhdf5.so : science/hdf5
  2. libsz.so : science/szip
  3. libopenblas.so : math/openblas
There are no ports dependent upon this port

Configuration Options

USES:

Master Sites:
  1. https://codeload.github.com/SebWouters/CheMPS2/tar.gz/v1.8.9?dummy=/

Number of commits found: 15

Commit History - (may be incomplete: see SVNWeb link above for full details)
DateByDescription
30 Jan 2020 14:17:44
Original commit files touched by this commit  1.8.9_5
Revision:524642
swills search for other commits by this committer
Fix math/openblas and bump dependent ports

* Fix build on i386 [1]
* Fix science/code_saturne build with new openblas [2]
* Avoid installing private headers [3]
* Prevent build from optimizing for host by correcting build confg [4]
* Bump portrevision of dependent ports [5]

This is correcting issues from r523749 [1][2][4] and r515970 [3]

PR:		231371
Reported by:	build cluster [1]
Reported by:	Dima Pasechnik <dimpase+freebsd@gmail.com> [2]
Reported by:	many [5]
Reviewed by:	mat, bapt
Approved by:	implicit, since this is a build fix
26 Jul 2019 20:46:57
Original commit files touched by this commit  1.8.9_4
Revision:507372
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  1.8.9_3
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
05 Jan 2019 22:46:54
Original commit files touched by this commit  1.8.9_2
Revision:489412
sunpoet search for other commits by this committer
Update science/hdf5 to 1.10.4

- Bump PORTREVISION of dependent ports for shlib change

Changes:	https://portal.hdfgroup.org/display/support/HDF5%201.10.4#releasenotes
PR:		233070
Submitted by:	wen
25 Dec 2018 20:25:40
Original commit files touched by this commit  1.8.9_1
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
12 Dec 2018 01:35:36
Original commit files touched by this commit  1.8.9_1
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
30 Oct 2018 06:00:05
Original commit files touched by this commit  1.8.9
Revision:483452
yuri search for other commits by this committer
science/chemps2: Update 1.8.8 -> 1.8.9

Reported by:	portscout
28 Sep 2018 03:25:20
Original commit files touched by this commit  1.8.8
Revision:480839
yuri search for other commits by this committer
science/chemps2: Update 1.8.7 -> 1.8.8

Reported by:	portscout
05 Sep 2018 22:05:23
Original commit files touched by this commit  1.8.7_2
Revision:479046
sunpoet search for other commits by this committer
Update science/hdf5 to 1.10.2

- Bump PORTREVISION of dependent ports for shlib change

Changes:	https://portal.hdfgroup.org/display/support/HDF5%201.10.2#releasenotes
		https://support.hdfgroup.org/ftp/HDF5/releases/hdf5-1.10/hdf5-1.10.2/src/hdf5-1.10.2-RELEASE.txt
PR:		231009
Exp-run by:	antoine
29 Jul 2018 22:18:46
Original commit files touched by this commit  1.8.7_1
Revision:475857
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
26 Mar 2018 09:47:56
Original commit files touched by this commit  1.8.7
Revision:465573
yuri search for other commits by this committer
science/chemps2: Update 1.8.6 -> 1.8.7

Reported by:	portscout
17 Mar 2018 17:15:22
Original commit files touched by this commit  1.8.6
Revision:464835
yuri search for other commits by this committer
science/chemps2: Update to 1.8.6

Also add USE_LDCONFIG=yes

Reported by:	portscout
10 Mar 2018 17:46:06
Original commit files touched by this commit  1.8.5_1
Revision:464084
gerald search for other commits by this committer
Bump PORTREVISIONs of all users of math/mpc that we just updated to
version 1.1.0 (via revision 464079).
15 Jan 2018 22:04:40
Original commit files touched by this commit  1.8.5
Revision:459125
yuri search for other commits by this committer
science/chemps2: Update to 1.8.5

Submitted by:	myself
Reported by:	portscout
Approved by:	tcberner (mentor)
Differential Revision:	https://reviews.freebsd.org/D13908
23 Nov 2017 05:58:51
Original commit files touched by this commit  1.8.4.12
Revision:454740
yuri search for other commits by this committer
New port: science/chemps2: Spin-adapted implementation of DMRG for ab initio
quantum chemistry

Approved by:	tcberner (mentor)
Differential Revision:	https://reviews.freebsd.org/D13100

Number of commits found: 15

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