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Port details on branch 2022Q2
multicharge Electronegativity equilibration model for atomic partial charges
0.2.0_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 View this port on Repology. pkg-fallout 0.2.0_2Version of this port present on the latest quarterly branch.
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2022-01-04 20:27:18
Last Update: 2023-12-12 19:03:50
Commit Hash: ab17137
License: APACHE20
WWW:
https://github.com/grimme-lab/mstore
Description:
mstore is molecular structure store for testing. It allows to store molecular structures in computational chemistry software.
Homepage    cgit ¦ Codeberg ¦ GitHub ¦ GitLab ¦ SVNWeb - no subversion history for this port

Manual pages:
FreshPorts has no man page information for this port.
pkg-plist: as obtained via: make generate-plist
Expand this list (35 items)
Collapse this list.
  1. @ldconfig
  2. /usr/local/share/licenses/multicharge-0.2.0_2/catalog.mk
  3. /usr/local/share/licenses/multicharge-0.2.0_2/LICENSE
  4. /usr/local/share/licenses/multicharge-0.2.0_2/APACHE20
  5. bin/multicharge
  6. include/multicharge/multicharge.mod
  7. include/multicharge/multicharge_blas.mod
  8. include/multicharge/multicharge_cutoff.mod
  9. include/multicharge/multicharge_data.mod
  10. include/multicharge/multicharge_data_covrad.mod
  11. include/multicharge/multicharge_ewald.mod
  12. include/multicharge/multicharge_lapack.mod
  13. include/multicharge/multicharge_model.mod
  14. include/multicharge/multicharge_ncoord.mod
  15. include/multicharge/multicharge_output.mod
  16. include/multicharge/multicharge_param.mod
  17. include/multicharge/multicharge_param_eeq2019.mod
  18. include/multicharge/multicharge_version.mod
  19. include/multicharge/multicharge_wignerseitz.mod
  20. lib/cmake/multicharge/Findcustom-blas.cmake
  21. lib/cmake/multicharge/Findcustom-lapack.cmake
  22. lib/cmake/multicharge/Findmctc-lib.cmake
  23. lib/cmake/multicharge/Findmstore.cmake
  24. lib/cmake/multicharge/multicharge-config-version.cmake
  25. lib/cmake/multicharge/multicharge-config.cmake
  26. lib/cmake/multicharge/multicharge-targets-release.cmake
  27. lib/cmake/multicharge/multicharge-targets.cmake
  28. lib/cmake/multicharge/multicharge-utils.cmake
  29. lib/libmulticharge.so
  30. lib/libmulticharge.so.0
  31. lib/libmulticharge.so.0.2.0
  32. libdata/pkgconfig/multicharge.pc
  33. @owner
  34. @group
  35. @mode
Collapse this list.
Dependency lines:
  • multicharge>0:science/multicharge
To install the port:
cd /usr/ports/science/multicharge/ && make install clean
To add the package, run one of these commands:
  • pkg install science/multicharge
  • pkg install multicharge
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.
PKGNAME: multicharge
Flavors: there is no flavor information for this port.
distinfo:
TIMESTAMP = 1651805908 SHA256 (grimme-lab-multicharge-v0.2.0_GH0.tar.gz) = 953e2ace2f4035b1fa8ecf680f90b5ce6ad5caae17c8d8ccbc2578b92b69d3e7 SIZE (grimme-lab-multicharge-v0.2.0_GH0.tar.gz) = 38484
Packages (timestamps in pop-ups are UTC):
multicharge
ABIaarch64amd64armv6armv7i386powerpcpowerpc64powerpc64le
FreeBSD:13:latest0.2.0_20.2.0_2-0.2.0_20.2.0_2---
FreeBSD:13:quarterly0.2.0_20.2.0_2-0.2.0_20.2.0_2-0.2.0_2-
FreeBSD:14:latest0.2.0_20.2.0_2-0.2.0_20.2.0_2---
FreeBSD:14:quarterly0.2.0_20.2.0_2-0.2.0_20.2.0_2-0.2.0_2-
FreeBSD:15:latest0.2.0_20.2.0_2n/a0.2.0_2n/a-0.2.0_20.2.0_2
FreeBSD:15:quarterly--n/a-n/a---
Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. mstore>0 : science/mstore
  2. cmake : devel/cmake-core
  3. gfortran12 : lang/gcc12
  4. as : devel/binutils
Runtime dependencies:
  1. gfortran12 : lang/gcc12
Library dependencies:
  1. libmctc-lib.so : science/mctc-lib
  2. libopenblas.so : math/openblas
This port is required by:
for Libraries
  1. science/dftd4
  2. science/tblite
Configuration Options:
No options to configure
Options name:
science_multicharge
USES:
cmake:testing fortran
FreshPorts was unable to extract/find any pkg message
Master Sites:
Expand this list (1 items)
Collapse this list.
  1. https://codeload.github.com/grimme-lab/multicharge/tar.gz/v0.2.0?dummy=/
Collapse this list.

There are no commits on branch 2022Q2 for this port
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