Port details on branch 2022Q3 |
- dlpoly-classic Molecular dynamics simulation package
- 1.8_19 science
=0 1.8_19Version of this port present on the latest quarterly branch.
- DEPRECATED: MASTERSITE gone; possibly replaced by https://gitlab.com/DL_POLY_Classic/dl_poly?
This port expired on: 2021-01-14
- Maintainer: jwb@FreeBSD.org
- Port Added: 2012-04-17 17:36:03
- Last Update: 2021-01-17 12:10:50
- SVN Revision: 561814
- Also Listed In: java
- License: BSD3CLAUSE
- WWW:
- http://ccpforge.cse.rl.ac.uk/gf/project/dl_poly_classic/
- Description:
- DL_POLY is a general purpose classical molecular dynamics (MD) simulation
software developed at Daresbury Laboratory by I.T. Todorov and W. Smith.
WWW: http://ccpforge.cse.rl.ac.uk/gf/project/dl_poly_classic/
-
cgit ¦ GitHub ¦ GitHub ¦ GitLab ¦
- Manual pages:
- FreshPorts has no man page information for this port.
- pkg-plist: as obtained via:
make generate-plist - Dependency lines:
-
- dlpolyclassic>0:science/dlpoly-classic
- No installation instructions:
- This port has been deleted.
- PKGNAME: dlpolyclassic
- Flavors: there is no flavor information for this port.
- distinfo:
- SHA256 (dl_class_1.8.tar.gz) = 4ee7e7ded64dd659ddccca6e26326045ce8f49b59217dcbb404363e5a5daf3d5
SIZE (dl_class_1.8.tar.gz) = 2769075
No package information for this port in our database- Sometimes this happens. Not all ports have packages.
- Dependencies
- NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
- Build dependencies:
-
- java : java/openjdk8
- gfortran9 : lang/gcc9
- gmake>=4.3 : devel/gmake
- as : devel/binutils
- Runtime dependencies:
-
- java : java/openjdk8
- gfortran9 : lang/gcc9
- Library dependencies:
-
- libmpi.so : net/openmpi3
- There are no ports dependent upon this port
Configuration Options:
- ===> The following configuration options are available for dlpolyclassic-1.8_19:
DOCS=on: Build and/or install documentation
EXAMPLES=on: Build and/or install examples
GUI=on: Install Java GUI
===> Use 'make config' to modify these settings
- Options name:
- N/A
- USES:
- fortran gmake
- pkg-message:
- For install:
- This port provides both serial and parallel (MPI) binaries. Use of
the MPI binary is strongly recommended on any machine with multiple
cores available. The serial binary is provided only for testing and
very small models.
To run a model on a workstation using 4 cores, use:
mpirun -n 4 dlpoly-classic-mpi
To run on a cluster, please see the documentation for your scheduler software.
- Master Sites:
- There is no master site for this port.
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