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Port details
libefp Effective fragment potential method in quantum chemistry
1.4.2 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: 14 Nov 2017 04:32:08
License: BSD2CLAUSE
LIBEFP is a full implementation of the Effective Fragment Potential (EFP)
method (EFP can be viewed as an advanced first-principles-based force-field,
see Kaliman et al., JCC, 2013). LIBEFP facilitates extension of unique
electronic structure methodologies designed for accurate simulations in the
gas phase to condensed phases via QM/EFP. LIBEFP is designed to give developers
of quantum chemistry software an easy way to add EFP support to their favourite
package.

WWW: https://libefp.github.io
SVNWeb : Homepage : PortsMon
    Pseudo-pkg-plist information, but much better, from make generate-plist
    Expand this list (58 items)
  1. /usr/local/share/licenses/libefp-1.4.2/catalog.mk
  2. /usr/local/share/licenses/libefp-1.4.2/LICENSE
  3. /usr/local/share/licenses/libefp-1.4.2/BSD2CLAUSE
  4. include/efp.h
  5. lib/libefp.so
  6. share/cmake/libefp/libefpConfig.cmake
  7. share/cmake/libefp/libefpConfigVersion.cmake
  8. share/cmake/libefp/libefpTargets-release.cmake
  9. share/cmake/libefp/libefpTargets.cmake
  10. share/libefp/fraglib/2aminopyridine.efp
  11. share/libefp/fraglib/acetamide-gp.efp
  12. share/libefp/fraglib/acetamide-hb.efp
  13. share/libefp/fraglib/aceticacid-gp.efp
  14. share/libefp/fraglib/aceticacid-hb.efp
  15. share/libefp/fraglib/acetone.efp
  16. share/libefp/fraglib/adenine-stack.efp
  17. share/libefp/fraglib/adenine-wc.efp
  18. share/libefp/fraglib/ammonia.efp
  19. share/libefp/fraglib/benzene.efp
  20. share/libefp/fraglib/c2h5oh.efp
  21. share/libefp/fraglib/c6h6.efp
  22. share/libefp/fraglib/ccl4.efp
  23. share/libefp/fraglib/ch3oh.efp
  24. share/libefp/fraglib/ch4.efp
  25. share/libefp/fraglib/cl2.efp
  26. share/libefp/fraglib/cyclopentane.efp
  27. share/libefp/fraglib/dcm.efp
  28. share/libefp/fraglib/dmso.efp
  29. share/libefp/fraglib/ethane.efp
  30. share/libefp/fraglib/ethene.efp
  31. share/libefp/fraglib/ethyne.efp
  32. share/libefp/fraglib/formamide.efp
  33. share/libefp/fraglib/formicacid.efp
  34. share/libefp/fraglib/h2.efp
  35. share/libefp/fraglib/h2o.efp
  36. share/libefp/fraglib/hydrogencyanide.efp
  37. share/libefp/fraglib/indole.efp
  38. share/libefp/fraglib/methane.efp
  39. share/libefp/fraglib/methanol.efp
  40. share/libefp/fraglib/methylamine.efp
  41. share/libefp/fraglib/neopentane.efp
  42. share/libefp/fraglib/nh3.efp
  43. share/libefp/fraglib/nmethylacetamide.efp
  44. share/libefp/fraglib/pentacene.efp
  45. share/libefp/fraglib/pentane.efp
  46. share/libefp/fraglib/phenol.efp
  47. share/libefp/fraglib/pyrazine.efp
  48. share/libefp/fraglib/pyridine.efp
  49. share/libefp/fraglib/pyridone.efp
  50. share/libefp/fraglib/tetracene.efp
  51. share/libefp/fraglib/thymine-stack.efp
  52. share/libefp/fraglib/thymine-wc.efp
  53. share/libefp/fraglib/uracil-gp.efp
  54. share/libefp/fraglib/uracil.efp
  55. share/libefp/fraglib/water.efp
  56. share/libefp/makefp.inp
  57. @postexec /sbin/ldconfig -m /usr/local/lib
  58. @postunexec /sbin/ldconfig -R
  59. Collapse this list.

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

PKGNAME: libefp

distinfo:

TIMESTAMP = 1510556535
SHA256 (ilyak-libefp-1.4.2_GH0.tar.gz) = 23138eef66d9fbbd0da31b3130dff693cd91aab00daa78c2883147584142d594
SIZE (ilyak-libefp-1.4.2_GH0.tar.gz) = 5613674


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

Build dependencies:
  1. cmake : devel/cmake
  2. ninja : devel/ninja
There are no ports dependent upon this port

Configuration Options
     No options to configure

USES:
cmake:outsource

Master Sites:
  1. https://codeload.github.com/ilyak/libefp/tar.gz/1.4.2?dummy=/

Number of commits found: 1

Commit History - (may be incomplete: see SVNWeb link above for full details)
DateByDescription
14 Nov 2017 04:31:59
Original commit files touched by this commit  1.4.2
Revision:454160
yuri search for other commits by this committer
New port: science/libefp: Effective fragment potential method in quantum
chemistry

Approved by:	tcberner (mentor)
Differential Revision:	https://reviews.freebsd.org/D13072

Number of commits found: 1

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