Port details
py-mrchem MultiResolution Chemistry
1.1.4 science Σ 1.1.4Version of this port present on the latest quarterly branch. Maintainer: yuri@FreeBSD.org Port Added: 2022-11-15 03:09:24Last Update: 2024-01-18 05:54:17Commit Hash: 2407ac4 Also Listed In: python License: GPLv3WWW: https://github.com/MRChemSoft/mrchem Description: # MRChem is a numerical real-space code for molecular electronic structure
calculations within the self-consistent field (SCF) approximations of quantum
chemistry (Hartree-Fock and Density Functional Theory).
The code is being developed at the Hylleraas Centre for Quantum Molecular
Sciences at UiT - The Arctic University of Norway. Manual pages: # FreshPorts has no man page information for this port.
pkg-plist: make generate-plist # There is no configure plist information for this port. USE_RC_SUBR (Service Scripts)
no SUBR information found for this port
Dependency lines :
${PYTHON_PKGNAMEPREFIX}mrchem>0:science/py-mrchem@${PY_FLAVOR} To install the port : # cd /usr/ports/science/py-mrchem/ && make install clean To add the package , run one of these commands: pkg install science/py-mrchem pkg install py39-mrchem py39-mrchem listed in the above command, you can pick from the names under the Packages section.PKGNAME: py39-mrchem Package flavors (<flavor>: <package> ) # distinfo: # TIMESTAMP = 1705556693
SHA256 (MRChemSoft-mrchem-v1.1.4_GH0.tar.gz) = 80724ee337d3d48af559342ee090d883c90662d2d60a1c5219a6a18c9bd32d6c
SIZE (MRChemSoft-mrchem-v1.1.4_GH0.tar.gz) = 4241663
Packages (timestamps in pop-ups are UTC): #
Dependencies # NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered. Build dependencies: #
cmake : devel/cmake-core ninja : devel/ninja python3.9 : lang/python39
Test dependencies: #
python3.9 : lang/python39
Runtime dependencies: #
mrchem>0 : science/mrchem python3.9 : lang/python39
This port is required by: # for Test #
science/py-qcengine Configuration Options : # No options to configure Options name : # science_py-mrchem USES: # cmake python shebangfix
FreshPorts was unable to extract/find any pkg message # Master Sites: #
Number of commits found: 7 #
Commit History - (may be incomplete: for full details, see links to repositories near top of page) Commit Credits Log message 1.1.4 Yuri Victorovich (yuri) science/py-mrchem: update 1.1.3 → 1.1.4
Reported by: portscout 1.1.3 Yuri Victorovich (yuri) science/{,py-}mrchem: update 1.1.2 → 1.1.3
Reported by: portscout 1.1.2_1 Gerald Pfeifer (gerald) *: Bump PORTREVISIONs for math/mpc update to 1.3.1 1.1.2 Yuri Victorovich (yuri) science/{,py-}mrchem: Update 1.1.1 -> 1.1.2
Reported by: portscout 1.1.1 Yuri Victorovich (yuri) science/{,py-}mrchem: Update 1.1.0-20221026 -> 1.1.1
Reported by: portscout 1.1.0.20221026 Yuri Victorovich (yuri) */*: Change DISTVERSION to have a hyphen when it refers to a specific revision
When DISTVERSION contains the real version and a revision modifier,
such modifier should be separated with '-', not '.' 1.1.0.20221026 Yuri Victorovich (yuri) science/py-mrchem: New port: MultiResolution Chemistry
Number of commits found: 7
