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Port details
cpcmx Extended conductor-like polarizable continuum solvation model
1.1.0 science on this many watch lists=1 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 Package not present on quarterly.This port was created during this quarter. It will be in the next quarterly branch but not the current one.
Maintainer: alven@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2025-11-03 12:57:09
Last Update: 2025-11-03 12:56:01
Commit Hash: 34452b5
People watching this port, also watch:: tatuin, gladtex, hs-hledger-web, horizon-eda, qelectrotech
License: LGPL3+
WWW:
https://github.com/grimme-lab/CPCM-X/
Description:
This is an fully Free Software solvation model, based on the original conductor like screening model for realistic solvation (COSMO-RS) model by Klamt et al. in combination with the universal solvation model based on solute electron density (SMD) by Marenich, Cramer and Truhlar. While there are also parameters in this repository, that are optimized for running this library with ORCA and TURBOMOLE, the published version of this model was built to be run with the semi-empirical GFN2-xTB method. However, the final goal of this project is to deliver a robust Free Software solvation framework, which can be reparametrized for the method of choice.
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 (43 items)
Collapse this list.
  1. @ldconfig
  2. /usr/local/share/licenses/cpcmx-1.1.0/catalog.mk
  3. /usr/local/share/licenses/cpcmx-1.1.0/LICENSE
  4. /usr/local/share/licenses/cpcmx-1.1.0/LGPL3+
  5. bin/cpx
  6. include/cpcmx/bonding.mod
  7. include/cpcmx/cpx.mod
  8. include/cpcmx/cpx_c_api.mod
  9. include/cpcmx/cpxcalc.mod
  10. include/cpcmx/crs.mod
  11. include/cpcmx/crs_broyden.mod
  12. include/cpcmx/crs_lapack.mod
  13. include/cpcmx/crs_timer.mod
  14. include/cpcmx/data.mod
  15. include/cpcmx/eledata_module.mod
  16. include/cpcmx/element_dict.mod
  17. include/cpcmx/globals.mod
  18. include/cpcmx/initialize_cosmo.mod
  19. include/cpcmx/internaldb.mod
  20. include/cpcmx/isodens.mod
  21. include/cpcmx/pr.mod
  22. include/cpcmx/profile.mod
  23. include/cpcmx/qc_calc.mod
  24. include/cpcmx/sac_mod.mod
  25. include/cpcmx/sdm.mod
  26. include/cpcmx/sigma_av.mod
  27. include/cpcmx/sort.mod
  28. include/cpcmx/type.mod
  29. lib/cmake/cpcmx/Findmctc-lib.cmake
  30. lib/cmake/cpcmx/Findnumsa.cmake
  31. lib/cmake/cpcmx/Findtest-drive.cmake
  32. lib/cmake/cpcmx/Findtoml-f.cmake
  33. lib/cmake/cpcmx/cpcm-x-utils.cmake
  34. lib/cmake/cpcmx/cpcmx-config-version.cmake
  35. lib/cmake/cpcmx/cpcmx-config.cmake
  36. lib/cmake/cpcmx/cpcmx-targets-release.cmake
  37. lib/cmake/cpcmx/cpcmx-targets.cmake
  38. lib/libcpcmx.so
  39. lib/libcpcmx.so.1
  40. lib/libcpcmx.so.1.1.0
  41. @owner
  42. @group
  43. @mode
Collapse this list.
USE_RC_SUBR (Service Scripts)
  • no SUBR information found for this port
Dependency lines:
  • cpcmx>0:science/cpcmx
To install the port:
cd /usr/ports/science/cpcmx/ && make install clean
To add the package, run one of these commands:
  • pkg install science/cpcmx
  • pkg install cpcmx
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.
PKGNAME: cpcmx
Flavors: there is no flavor information for this port.
distinfo:
TIMESTAMP = 1762129285 SHA256 (cpx-1.1.0.tar.xz) = 255dfa9b70c41580163fa3636125a0103c3b553c52fc8558d3a63f4654cc41c1 SIZE (cpx-1.1.0.tar.xz) = 13048668
Packages (timestamps in pop-ups are UTC):
cpcmx
ABIaarch64amd64armv6armv7i386powerpcpowerpc64powerpc64le
FreeBSD:13:latest-1.1.0--1.1.0n/an/an/a
FreeBSD:13:quarterly-----n/an/an/a
FreeBSD:14:latest-1.1.0--1.1.0---
FreeBSD:14:quarterly--------
FreeBSD:15:latest-1.1.0n/a-n/an/a--
FreeBSD:15:quarterly--n/a-n/an/a--
FreeBSD:16:latest-1.1.0n/a-n/an/a--
Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. cmake : devel/cmake-core
  2. gfortran13 : lang/gcc13
  3. as : devel/binutils
Test dependencies:
  1. test-drive>0 : devel/test-drive
Runtime dependencies:
  1. gfortran13 : lang/gcc13
Library dependencies:
  1. libmctc-lib.so : science/mctc-lib
  2. libnumsa.so : science/numsa
  3. libtoml-f.so : textproc/toml-f
  4. libblas.so : math/blas
  5. liblapack.so : math/lapack
There are no ports dependent upon this port
Configuration Options:
No options to configure
Options name:
science_cpcmx
USES:
blaslapack cmake fortran tar:xz
FreshPorts was unable to extract/find any pkg message
Master Sites:
Expand this list (1 items)
Collapse this list.
  1. https://github.com/grimme-lab/CPCM-X/releases/download/v1.1.0/
Collapse this list.

Number of commits found: 1

Commit History - (may be incomplete: for full details, see links to repositories near top of page)
CommitCreditsLog message
1.1.0
03 Nov 2025 12:56:01
commit hash: 34452b5aae112a9fde98702c52f0b7dc10db242ecommit hash: 34452b5aae112a9fde98702c52f0b7dc10db242ecommit hash: 34452b5aae112a9fde98702c52f0b7dc10db242ecommit hash: 34452b5aae112a9fde98702c52f0b7dc10db242e files touched by this commit		 Älven (alven) search for other commits by this committer 
science/cpcmx: [NEW PORT] Extended conductor-like polarizable continuum
solvation model

This is an fully Free Software solvation model, based on the original
conductor like screening model for realistic solvation (COSMO-RS)
model by Klamt et al. in combination with the universal solvation
model based on solute electron density (SMD): by Marenich, Cramer and
Truhlar.

WWW: https://github.com/grimme-lab/CPCM-X/

Reviewed by:		diizzy@
Approved by:		yuri@ (Mentor)
Differential Revision:	https://reviews.freebsd.org/D53531

Number of commits found: 1
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